3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile

C9H19ClN3P — CID 22507577

IUPAC3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile
SMILESCC(C)NP(Cl)N(CCC#N)C(C)C
InChIInChI=1S/C9H19ClN3P/c1-8(2)12-14(10)13(9(3)4)7-5-6-11/h8-9,12H,5,7H2,1-4H3
InChIKeyIBZJBUXARKFCCS-UHFFFAOYSA-N
MW235.70 g/mol
LogP3.07
Rot. Bonds6

About 3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile

3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile (PubChem CID 22507577) has the molecular formula C9H19ClN3P and a molecular weight of 235.70 g/mol. Its IUPAC name is 3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile
PubChem CID22507577
Molecular FormulaC9H19ClN3P
Molecular Weight235.70 g/mol
Exact Mass235.10
IUPAC Name3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile
SMILESCC(C)NP(Cl)N(CCC#N)C(C)C
InChIInChI=1S/C9H19ClN3P/c1-8(2)12-14(10)13(9(3)4)7-5-6-11/h8-9,12H,5,7H2,1-4H3
InChIKeyIBZJBUXARKFCCS-UHFFFAOYSA-N
XLogP3.07
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile
CID 15076035
3-bis(propan-2-ylamino)phosphanylpropanenitrile
CID 140990079
3-[chloro-di(propan-2-yl)phosphanylamino]propanenitrile
CID 87743753
2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide
CID 86928405
3-bis(propan-2-ylamino)phosphanyloxypropanenitrile
CID 10013594
3-[2-oxopropyl(propan-2-yl)amino]propanenitrile
CID 62036211
3-[6-chlorohexyl(propan-2-yl)amino]propanenitrile
CID 62229326
3-[methyl(4-methylpentyl)amino]propanenitrile
CID 83156286
6-[di(propan-2-yl)amino]hexanenitrile
CID 151784240
[[3-cyano-1-[di(propan-2-yl)amino]propyl]amino]phosphonous acid
CID 87195101
3-[4-[2-cyanoethyl(methyl)amino]butyl-methylamino]propanenitrile
CID 71396739
4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile
CID 28568679

Frequently Asked Questions

What is the IUPAC name of 3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile (CID 22507577) is 3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile is CC(C)NP(Cl)N(CCC#N)C(C)C.
What is the InChIKey of 3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile?
The InChIKey is IBZJBUXARKFCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN3P/c1-8(2)12-14(10)13(9(3)4)7-5-6-11/h8-9,12H,5,7H2,1-4H3.
What are the key properties of 3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile?
3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile has a molecular weight of 235.70 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[chloro-(propan-2-ylamino)phosphanyl]-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 22507577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).