2-[1-aminopropyl(cyclohexyl)amino]propanenitrile

C12H23N3 — CID 175407129

IUPAC2-[1-aminopropyl(cyclohexyl)amino]propanenitrile
SMILESCCC(N)N(C(C)C#N)C1CCCCC1
InChIInChI=1S/C12H23N3/c1-3-12(14)15(10(2)9-13)11-7-5-4-6-8-11/h10-12H,3-8,14H2,1-2H3
InChIKeyNODOPIVYKIUIRJ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.23
Rot. Bonds4

About 2-[1-aminopropyl(cyclohexyl)amino]propanenitrile

2-[1-aminopropyl(cyclohexyl)amino]propanenitrile (PubChem CID 175407129) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[1-aminopropyl(cyclohexyl)amino]propanenitrile.

Molecular Properties

Compound Name2-[1-aminopropyl(cyclohexyl)amino]propanenitrile
PubChem CID175407129
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[1-aminopropyl(cyclohexyl)amino]propanenitrile
SMILESCCC(N)N(C(C)C#N)C1CCCCC1
InChIInChI=1S/C12H23N3/c1-3-12(14)15(10(2)9-13)11-7-5-4-6-8-11/h10-12H,3-8,14H2,1-2H3
InChIKeyNODOPIVYKIUIRJ-UHFFFAOYSA-N
XLogP2.23
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-aminopropyl(cyclohexyl)amino]propanenitrile?
The IUPAC name of 2-[1-aminopropyl(cyclohexyl)amino]propanenitrile (CID 175407129) is 2-[1-aminopropyl(cyclohexyl)amino]propanenitrile.
What is the SMILES notation for 2-[1-aminopropyl(cyclohexyl)amino]propanenitrile?
The canonical SMILES for 2-[1-aminopropyl(cyclohexyl)amino]propanenitrile is CCC(N)N(C(C)C#N)C1CCCCC1.
What is the InChIKey of 2-[1-aminopropyl(cyclohexyl)amino]propanenitrile?
The InChIKey is NODOPIVYKIUIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-12(14)15(10(2)9-13)11-7-5-4-6-8-11/h10-12H,3-8,14H2,1-2H3.
What are the key properties of 2-[1-aminopropyl(cyclohexyl)amino]propanenitrile?
2-[1-aminopropyl(cyclohexyl)amino]propanenitrile has a molecular weight of 209.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-aminopropyl(cyclohexyl)amino]propanenitrile is sourced from PubChem (CID 175407129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).