1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine

C16H27N3 — CID 64679118

IUPAC1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine
SMILESCN(CCc1ccncc1)CCC1(N)CCCCC1
InChIInChI=1S/C16H27N3/c1-19(13-7-15-5-11-18-12-6-15)14-10-16(17)8-3-2-4-9-16/h5-6,11-12H,2-4,7-10,13-14,17H2,1H3
InChIKeyPTEBKQIIWCQJIW-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.61
Rot. Bonds6

About 1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine

1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine (PubChem CID 64679118) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine
PubChem CID64679118
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine
SMILESCN(CCc1ccncc1)CCC1(N)CCCCC1
InChIInChI=1S/C16H27N3/c1-19(13-7-15-5-11-18-12-6-15)14-10-16(17)8-3-2-4-9-16/h5-6,11-12H,2-4,7-10,13-14,17H2,1H3
InChIKeyPTEBKQIIWCQJIW-UHFFFAOYSA-N
XLogP2.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine (CID 64679118) is 1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine is CN(CCc1ccncc1)CCC1(N)CCCCC1.
What is the InChIKey of 1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine?
The InChIKey is PTEBKQIIWCQJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-19(13-7-15-5-11-18-12-6-15)14-10-16(17)8-3-2-4-9-16/h5-6,11-12H,2-4,7-10,13-14,17H2,1H3.
What are the key properties of 1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine?
1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64679118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).