3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine

C16H27N3 — CID 64735628

IUPAC3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN(C)Cc2ccncc2)C(N)C1
InChIInChI=1S/C16H27N3/c1-12-8-13(2)15(16(17)9-12)11-19(3)10-14-4-6-18-7-5-14/h4-7,12-13,15-16H,8-11,17H2,1-3H3
InChIKeyARRHPSHWSSSWKL-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.52
Rot. Bonds4

About 3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine

3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 64735628) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
PubChem CID64735628
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN(C)Cc2ccncc2)C(N)C1
InChIInChI=1S/C16H27N3/c1-12-8-13(2)15(16(17)9-12)11-19(3)10-14-4-6-18-7-5-14/h4-7,12-13,15-16H,8-11,17H2,1-3H3
InChIKeyARRHPSHWSSSWKL-UHFFFAOYSA-N
XLogP2.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine (CID 64735628) is 3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine is CC1CC(C)C(CN(C)Cc2ccncc2)C(N)C1.
What is the InChIKey of 3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is ARRHPSHWSSSWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-8-13(2)15(16(17)9-12)11-19(3)10-14-4-6-18-7-5-14/h4-7,12-13,15-16H,8-11,17H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64735628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).