2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine

C14H39N7P2 — CID 123877929

IUPAC2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine
SMILES[H]N=P(N=P(N(C)C)(N(C)C)N(C)C)(NC(C)(C)C)N(C)CCC
InChIInChI=1S/C14H39N7P2/c1-12-13-21(11)22(15,16-14(2,3)4)17-23(18(5)6,19(7)8)20(9)10/h12-13H2,1-11H3,(H2,15,16)
InChIKeyRNBBHAKGPVGEPP-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.87
Rot. Bonds8

About 2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine

2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine (PubChem CID 123877929) has the molecular formula C14H39N7P2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine
PubChem CID123877929
Molecular FormulaC14H39N7P2
Molecular Weight367.46 g/mol
Exact Mass367.27
IUPAC Name2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine
SMILES[H]N=P(N=P(N(C)C)(N(C)C)N(C)C)(NC(C)(C)C)N(C)CCC
InChIInChI=1S/C14H39N7P2/c1-12-13-21(11)22(15,16-14(2,3)4)17-23(18(5)6,19(7)8)20(9)10/h12-13H2,1-11H3,(H2,15,16)
InChIKeyRNBBHAKGPVGEPP-UHFFFAOYSA-N
XLogP3.87
TPSA61.20 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[[[bis(dimethylamino)-propan-2-yl-λ5-phosphanylidene]amino]-tert-butylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-(dimethylamino)-propan-2-yl-λ5-phosphanyl]-N-methylmethanamine
CID 122662963
N-[bis(dimethylamino)phosphinothioylimino-bis(dimethylamino)-lambda5-phosphanyl]-N-methylmethanamine
CID 12652574
1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 62848218
N-dimethoxyphosphoryl-N-methylpropan-1-amine
CID 22756487
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine
CID 62568783
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide
CID 153452857
N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine
CID 87241132
2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine
CID 145011873
N-tert-butyl-N',N'-dipropylpropane-1,3-diamine
CID 60851501
azane;2-methyl-N,N-dipropylpropan-2-amine
CID 87497520
1-methyl-2-oxido-1,2-dipropylhydrazine
CID 163958911
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine (CID 123877929) is 2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine is [H]N=P(N=P(N(C)C)(N(C)C)N(C)C)(NC(C)(C)C)N(C)CCC.
What is the InChIKey of 2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine?
The InChIKey is RNBBHAKGPVGEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H39N7P2/c1-12-13-21(11)22(15,16-14(2,3)4)17-23(18(5)6,19(7)8)20(9)10/h12-13H2,1-11H3,(H2,15,16).
What are the key properties of 2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine?
2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine has a molecular weight of 367.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine is sourced from PubChem (CID 123877929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).