2-(heptylamino)propanenitrile

C10H20N2 — CID 101282810

IUPAC2-(heptylamino)propanenitrile
SMILESCCCCCCCNC(C)C#N
InChIInChI=1S/C10H20N2/c1-3-4-5-6-7-8-12-10(2)9-11/h10,12H,3-8H2,1-2H3
InChIKeyUXVASGAKMKVNSW-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.46
Rot. Bonds7

About 2-(heptylamino)propanenitrile

2-(heptylamino)propanenitrile (PubChem CID 101282810) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(heptylamino)propanenitrile.

Molecular Properties

Compound Name2-(heptylamino)propanenitrile
PubChem CID101282810
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-(heptylamino)propanenitrile
SMILESCCCCCCCNC(C)C#N
InChIInChI=1S/C10H20N2/c1-3-4-5-6-7-8-12-10(2)9-11/h10,12H,3-8H2,1-2H3
InChIKeyUXVASGAKMKVNSW-UHFFFAOYSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(heptylamino)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

2-[[(E)-dec-5-enyl]amino]propanenitrile
CID 101282858
2-[[(E)-dec-4-enyl]amino]propanenitrile
CID 101282857
2-[[(E)-non-3-enyl]amino]propanenitrile
CID 101282840
N-propan-2-ylicosan-1-amine
CID 87246132
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
2-methyl-3-(octadecylamino)propanenitrile
CID 21406116
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
1-N'-nonylethane-1,1-diamine
CID 141374358
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
N-butan-2-yldodecan-1-amine
CID 63489622
(1S)-1-(hexylamino)ethanethiol
CID 142113099
N-butan-2-ylundecan-1-amine
CID 151961423

Frequently Asked Questions

What is the IUPAC name of 2-(heptylamino)propanenitrile?
The IUPAC name of 2-(heptylamino)propanenitrile (CID 101282810) is 2-(heptylamino)propanenitrile.
What is the SMILES notation for 2-(heptylamino)propanenitrile?
The canonical SMILES for 2-(heptylamino)propanenitrile is CCCCCCCNC(C)C#N.
What is the InChIKey of 2-(heptylamino)propanenitrile?
The InChIKey is UXVASGAKMKVNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-5-6-7-8-12-10(2)9-11/h10,12H,3-8H2,1-2H3.
What are the key properties of 2-(heptylamino)propanenitrile?
2-(heptylamino)propanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptylamino)propanenitrile is sourced from PubChem (CID 101282810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).