[[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine

C33H89N15P5+ — CID 160544861

IUPAC[[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine
SMILESCCN(CC)P1(=NC(C)(C)C)N(C)CCCN1C.CN(C)P(C)(=NP(=NC(C)(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N[P+](C)(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C20H58N11P4.C13H31N4P/c1-20(2,3)21-34(22-32(18,25(4)5)26(6)7,23-33(19,27(8)9)28(10)11)24-35(29(12)13,30(14)15)31(16)17;1-8-17(9-2)18(14-13(3,4)5)15(6)11-10-12-16(18)7/h22H,1-19H3;8-12H2,1-7H3/q+1;
InChIKeyRFUMDYAFTMJKCV-UHFFFAOYSA-N
MW851.05 g/mol
LogP8.59
Rot. Bonds14

About [[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine

[[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine (PubChem CID 160544861) has the molecular formula C33H89N15P5+ and a molecular weight of 851.05 g/mol. Its IUPAC name is [[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine.

Molecular Properties

Compound Name[[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine
PubChem CID160544861
Molecular FormulaC33H89N15P5+
Molecular Weight851.05 g/mol
Exact Mass850.61
IUPAC Name[[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine
SMILESCCN(CC)P1(=NC(C)(C)C)N(C)CCCN1C.CN(C)P(C)(=NP(=NC(C)(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N[P+](C)(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C20H58N11P4.C13H31N4P/c1-20(2,3)21-34(22-32(18,25(4)5)26(6)7,23-33(19,27(8)9)28(10)11)24-35(29(12)13,30(14)15)31(16)17;1-8-17(9-2)18(14-13(3,4)5)15(6)11-10-12-16(18)7/h22H,1-19H3;8-12H2,1-7H3/q+1;
InChIKeyRFUMDYAFTMJKCV-UHFFFAOYSA-N
XLogP8.59
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.05
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine with MolForge

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Related Compounds

N-[tert-butylimino-(diethylamino)-pyrrolidin-1-yl-λ5-phosphanyl]-N-ethylethanamine
CID 170006633
2-tert-butyl-1,3-dimethyl-1,3,2λ5-diazaphosphinane 2-oxide
CID 164842805
4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727261
1-[ethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335154
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64726725
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 63159395
2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63211108
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63026818
N,N,1,3-tetramethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine
CID 155306691
2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 65255387
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63210997
N,N-dibutyl-1,3-dimethyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-1,3,2-diazaphosphinan-2-ium-2-amine
CID 155306692

Frequently Asked Questions

What is the IUPAC name of [[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine?
The IUPAC name of [[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine (CID 160544861) is [[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine.
What is the SMILES notation for [[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine?
The canonical SMILES for [[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine is CCN(CC)P1(=NC(C)(C)C)N(C)CCCN1C.CN(C)P(C)(=NP(=NC(C)(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N[P+](C)(N(C)C)N(C)C)N(C)C.
What is the InChIKey of [[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine?
The InChIKey is RFUMDYAFTMJKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H58N11P4.C13H31N4P/c1-20(2,3)21-34(22-32(18,25(4)5)26(6)7,23-33(19,27(8)9)28(10)11)24-35(29(12)13,30(14)15)31(16)17;1-8-17(9-2)18(14-13(3,4)5)15(6)11-10-12-16(18)7/h22H,1-19H3;8-12H2,1-7H3/q+1;.
What are the key properties of [[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine?
[[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine has a molecular weight of 851.05 g/mol, XLogP of 8.59, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[[[bis(dimethylamino)-methyl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]amino]-bis(dimethylamino)-methylphosphanium;2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine is sourced from PubChem (CID 160544861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).