3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile

C7H15N2OP — CID 146204554

IUPAC3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile
SMILESCC(C)N(C)POCCC#N
InChIInChI=1S/C7H15N2OP/c1-7(2)9(3)11-10-6-4-5-8/h7,11H,4,6H2,1-3H3
InChIKeyBUNQIIKVOBQZOO-UHFFFAOYSA-N
MW174.18 g/mol
LogP1.77
Rot. Bonds5

About 3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile

3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile (PubChem CID 146204554) has the molecular formula C7H15N2OP and a molecular weight of 174.18 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile
PubChem CID146204554
Molecular FormulaC7H15N2OP
Molecular Weight174.18 g/mol
Exact Mass174.09
IUPAC Name3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile
SMILESCC(C)N(C)POCCC#N
InChIInChI=1S/C7H15N2OP/c1-7(2)9(3)11-10-6-4-5-8/h7,11H,4,6H2,1-3H3
InChIKeyBUNQIIKVOBQZOO-UHFFFAOYSA-N
XLogP1.77
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile 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-chlorophosphanyloxypropanenitrile;ethane
CID 142844149
2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium
CID 57227834
3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphoryl]oxypropanenitrile
CID 11346724
3-[2-(dimethylamino)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88576258
3-(1-bromoethoxy)propanenitrile
CID 151174182
carbanide;3-chlorophosphanyloxypropanenitrile;nickel
CID 58133304
3-methoxypropanenitrile
CID 161061289
3-[[di(propan-2-yl)amino]-hydroxy-di(propan-2-yl)-λ5-phosphanyl]oxypropanenitrile
CID 87379466
3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile
CID 15076035
chlorophosphanyl-(2-cyanoethoxy)-di(propan-2-yl)azanium
CID 22605280
acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
CID 170710647
3-[1-(2-cyanoethoxy)ethoxy]propanenitrile;3-methoxypropanenitrile
CID 86745402

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile?
The IUPAC name of 3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile (CID 146204554) is 3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile is CC(C)N(C)POCCC#N.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile?
The InChIKey is BUNQIIKVOBQZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2OP/c1-7(2)9(3)11-10-6-4-5-8/h7,11H,4,6H2,1-3H3.
What are the key properties of 3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile?
3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile has a molecular weight of 174.18 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile is sourced from PubChem (CID 146204554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).