2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine

C12H22N2 — CID 10799502

IUPAC2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESNC1=NC(CC2CCCCC2)CCC1
InChIInChI=1S/C12H22N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H2,13,14)
InChIKeyGFAXMTCFGXNOQD-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.87
Rot. Bonds2

About 2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine

2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 10799502) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID10799502
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESNC1=NC(CC2CCCCC2)CCC1
InChIInChI=1S/C12H22N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H2,13,14)
InChIKeyGFAXMTCFGXNOQD-UHFFFAOYSA-N
XLogP2.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of 2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 10799502) is 2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for 2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for 2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine is NC1=NC(CC2CCCCC2)CCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is GFAXMTCFGXNOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H2,13,14).
What are the key properties of 2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 194.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 10799502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).