1-amino-4-ethylcyclohexane-1-carbonitrile

C9H16N2 — CID 16787488

IUPAC1-amino-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(N)(C#N)CC1
InChIInChI=1S/C9H16N2/c1-2-8-3-5-9(11,7-10)6-4-8/h8H,2-6,11H2,1H3
InChIKeyPKIHBTZFRMFNEW-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.81
Rot. Bonds1

About 1-amino-4-ethylcyclohexane-1-carbonitrile

1-amino-4-ethylcyclohexane-1-carbonitrile (PubChem CID 16787488) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-amino-4-ethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-4-ethylcyclohexane-1-carbonitrile
PubChem CID16787488
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-amino-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(N)(C#N)CC1
InChIInChI=1S/C9H16N2/c1-2-8-3-5-9(11,7-10)6-4-8/h8H,2-6,11H2,1H3
InChIKeyPKIHBTZFRMFNEW-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-amino-4-ethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-amino-4-ethylcyclohexane-1-carbonitrile (CID 16787488) is 1-amino-4-ethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-amino-4-ethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-amino-4-ethylcyclohexane-1-carbonitrile is CCC1CCC(N)(C#N)CC1.
What is the InChIKey of 1-amino-4-ethylcyclohexane-1-carbonitrile?
The InChIKey is PKIHBTZFRMFNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-8-3-5-9(11,7-10)6-4-8/h8H,2-6,11H2,1H3.
What are the key properties of 1-amino-4-ethylcyclohexane-1-carbonitrile?
1-amino-4-ethylcyclohexane-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-amino-4-ethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 16787488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).