1-aminocyclohexane-1-carbonitrile;hydron;chloride

C7H13ClN2 — CID 44828784

IUPAC1-aminocyclohexane-1-carbonitrile;hydron;chloride
SMILESN#CC1(N)CCCCC1.[Cl-].[H+]
InChIInChI=1S/C7H12N2.ClH/c8-6-7(9)4-2-1-3-5-7;/h1-5,9H2;1H
InChIKeyUZDHDPDJHBPQTQ-UHFFFAOYSA-N
MW160.65 g/mol
LogP-1.71
Rot. Bonds

About 1-aminocyclohexane-1-carbonitrile;hydron;chloride

1-aminocyclohexane-1-carbonitrile;hydron;chloride (PubChem CID 44828784) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is 1-aminocyclohexane-1-carbonitrile;hydron;chloride.

Molecular Properties

Compound Name1-aminocyclohexane-1-carbonitrile;hydron;chloride
PubChem CID44828784
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC Name1-aminocyclohexane-1-carbonitrile;hydron;chloride
SMILESN#CC1(N)CCCCC1.[Cl-].[H+]
InChIInChI=1S/C7H12N2.ClH/c8-6-7(9)4-2-1-3-5-7;/h1-5,9H2;1H
InChIKeyUZDHDPDJHBPQTQ-UHFFFAOYSA-N
XLogP-1.71
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-aminocyclohexane-1-carbonitrile;hydron;chloride?
The IUPAC name of 1-aminocyclohexane-1-carbonitrile;hydron;chloride (CID 44828784) is 1-aminocyclohexane-1-carbonitrile;hydron;chloride.
What is the SMILES notation for 1-aminocyclohexane-1-carbonitrile;hydron;chloride?
The canonical SMILES for 1-aminocyclohexane-1-carbonitrile;hydron;chloride is N#CC1(N)CCCCC1.[Cl-].[H+].
What is the InChIKey of 1-aminocyclohexane-1-carbonitrile;hydron;chloride?
The InChIKey is UZDHDPDJHBPQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.ClH/c8-6-7(9)4-2-1-3-5-7;/h1-5,9H2;1H.
What are the key properties of 1-aminocyclohexane-1-carbonitrile;hydron;chloride?
1-aminocyclohexane-1-carbonitrile;hydron;chloride has a molecular weight of 160.65 g/mol, XLogP of -1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclohexane-1-carbonitrile;hydron;chloride is sourced from PubChem (CID 44828784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).