N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine

C20H54N8P4 — CID 139922545

IUPACN-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine
SMILESCCC(C(P(N(C)C)N(C)C)P(N(C)C)N(C)C)(P(N(C)C)N(C)C)P(N(C)C)N(C)C
InChIInChI=1S/C20H54N8P4/c1-18-20(31(25(10)11)26(12)13,32(27(14)15)28(16)17)19(29(21(2)3)22(4)5)30(23(6)7)24(8)9/h19H,18H2,1-17H3
InChIKeyXWQUIPOTWMXRQX-UHFFFAOYSA-N
MW530.60 g/mol
LogP4.16
Rot. Bonds14

About N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine

N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine (PubChem CID 139922545) has the molecular formula C20H54N8P4 and a molecular weight of 530.60 g/mol. Its IUPAC name is N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine
PubChem CID139922545
Molecular FormulaC20H54N8P4
Molecular Weight530.60 g/mol
Exact Mass530.34
IUPAC NameN-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine
SMILESCCC(C(P(N(C)C)N(C)C)P(N(C)C)N(C)C)(P(N(C)C)N(C)C)P(N(C)C)N(C)C
InChIInChI=1S/C20H54N8P4/c1-18-20(31(25(10)11)26(12)13,32(27(14)15)28(16)17)19(29(21(2)3)22(4)5)30(23(6)7)24(8)9/h19H,18H2,1-17H3
InChIKeyXWQUIPOTWMXRQX-UHFFFAOYSA-N
XLogP4.16
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.60
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]ethyl]phosphanyl]-N-methylmethanamine
CID 139922538
3-[3-(dimethylamino)pentan-3-yliminomethylideneamino]-N,N-dimethylpentan-3-amine
CID 139696874
ethene;N-ethyl-N-methylpropan-2-amine
CID 144977253
1-(dimethylamino)-2-methylpentane-3,3-diol
CID 141326424
2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79814972
1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine
CID 173059522
1-N',1-N',1-N",1-N"-tetraethyl-1-N,1-N-dimethylpropane-1,1,1-triamine
CID 175352703
3-ethyl-N,N,2,4-tetramethylpentan-3-amine
CID 163577690
1,1-dibromo-3,3-dimethylpentane
CID 19884394
N,N,3,4,4,5-hexamethylheptan-3-amine
CID 143946906
3,5-dibromo-3,5-dimethylheptane
CID 137445681
(E)-bis(3-chloropentan-3-yl)diazene
CID 134883326

Frequently Asked Questions

What is the IUPAC name of N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine (CID 139922545) is N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine is CCC(C(P(N(C)C)N(C)C)P(N(C)C)N(C)C)(P(N(C)C)N(C)C)P(N(C)C)N(C)C.
What is the InChIKey of N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine?
The InChIKey is XWQUIPOTWMXRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H54N8P4/c1-18-20(31(25(10)11)26(12)13,32(27(14)15)28(16)17)19(29(21(2)3)22(4)5)30(23(6)7)24(8)9/h19H,18H2,1-17H3.
What are the key properties of N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine?
N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine has a molecular weight of 530.60 g/mol, XLogP of 4.16, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino-[1,2,2-tris[bis(dimethylamino)phosphanyl]butyl]phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 139922545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).