2-(7-methyloctylamino)cyclohexane-1-carbonitrile

C16H30N2 — CID 107814920

IUPAC2-(7-methyloctylamino)cyclohexane-1-carbonitrile
SMILESCC(C)CCCCCCNC1CCCCC1C#N
InChIInChI=1S/C16H30N2/c1-14(2)9-5-3-4-8-12-18-16-11-7-6-10-15(16)13-17/h14-16,18H,3-12H2,1-2H3
InChIKeyICGMDXLRDDVQTI-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.26
Rot. Bonds8

About 2-(7-methyloctylamino)cyclohexane-1-carbonitrile

2-(7-methyloctylamino)cyclohexane-1-carbonitrile (PubChem CID 107814920) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(7-methyloctylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(7-methyloctylamino)cyclohexane-1-carbonitrile
PubChem CID107814920
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(7-methyloctylamino)cyclohexane-1-carbonitrile
SMILESCC(C)CCCCCCNC1CCCCC1C#N
InChIInChI=1S/C16H30N2/c1-14(2)9-5-3-4-8-12-18-16-11-7-6-10-15(16)13-17/h14-16,18H,3-12H2,1-2H3
InChIKeyICGMDXLRDDVQTI-UHFFFAOYSA-N
XLogP4.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyloctylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(7-methyloctylamino)cyclohexane-1-carbonitrile (CID 107814920) is 2-(7-methyloctylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(7-methyloctylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(7-methyloctylamino)cyclohexane-1-carbonitrile is CC(C)CCCCCCNC1CCCCC1C#N.
What is the InChIKey of 2-(7-methyloctylamino)cyclohexane-1-carbonitrile?
The InChIKey is ICGMDXLRDDVQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-14(2)9-5-3-4-8-12-18-16-11-7-6-10-15(16)13-17/h14-16,18H,3-12H2,1-2H3.
What are the key properties of 2-(7-methyloctylamino)cyclohexane-1-carbonitrile?
2-(7-methyloctylamino)cyclohexane-1-carbonitrile has a molecular weight of 250.43 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyloctylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 107814920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).