1-(1-aminoethyl)cyclohexane-1-carbonitrile

C9H16N2 — CID 123889664

IUPAC1-(1-aminoethyl)cyclohexane-1-carbonitrile
SMILESCC(N)C1(C#N)CCCCC1
InChIInChI=1S/C9H16N2/c1-8(11)9(7-10)5-3-2-4-6-9/h8H,2-6,11H2,1H3
InChIKeyRRRBHWTXXVJYAU-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.81
Rot. Bonds1

About 1-(1-aminoethyl)cyclohexane-1-carbonitrile

1-(1-aminoethyl)cyclohexane-1-carbonitrile (PubChem CID 123889664) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(1-aminoethyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-aminoethyl)cyclohexane-1-carbonitrile
PubChem CID123889664
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(1-aminoethyl)cyclohexane-1-carbonitrile
SMILESCC(N)C1(C#N)CCCCC1
InChIInChI=1S/C9H16N2/c1-8(11)9(7-10)5-3-2-4-6-9/h8H,2-6,11H2,1H3
InChIKeyRRRBHWTXXVJYAU-UHFFFAOYSA-N
XLogP1.81
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(1-aminoethyl)cyclohexane-1-carbonitrile (CID 123889664) is 1-(1-aminoethyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(1-aminoethyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(1-aminoethyl)cyclohexane-1-carbonitrile is CC(N)C1(C#N)CCCCC1.
What is the InChIKey of 1-(1-aminoethyl)cyclohexane-1-carbonitrile?
The InChIKey is RRRBHWTXXVJYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(11)9(7-10)5-3-2-4-6-9/h8H,2-6,11H2,1H3.
What are the key properties of 1-(1-aminoethyl)cyclohexane-1-carbonitrile?
1-(1-aminoethyl)cyclohexane-1-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 123889664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).