2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol

C16H26N2O — CID 64753453

IUPAC2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol
SMILESCCN(Cc1ccncc1)C1C(C)CC(C)CC1O
InChIInChI=1S/C16H26N2O/c1-4-18(11-14-5-7-17-8-6-14)16-13(3)9-12(2)10-15(16)19/h5-8,12-13,15-16,19H,4,9-11H2,1-3H3
InChIKeyIILSRVFYOKOWJK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.70
Rot. Bonds4

About 2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol

2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol (PubChem CID 64753453) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol
PubChem CID64753453
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol
SMILESCCN(Cc1ccncc1)C1C(C)CC(C)CC1O
InChIInChI=1S/C16H26N2O/c1-4-18(11-14-5-7-17-8-6-14)16-13(3)9-12(2)10-15(16)19/h5-8,12-13,15-16,19H,4,9-11H2,1-3H3
InChIKeyIILSRVFYOKOWJK-UHFFFAOYSA-N
XLogP2.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 64735879
2-[cyclopropylmethyl(ethyl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64751878
trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734522
2-[2-ethoxyethyl(ethyl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64751103
N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride
CID 146064325
1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine
CID 79468184
3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64735628
2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
CID 61451044
3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol
CID 64750698
3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol
CID 64751671
N-[(2-ethylcyclopropyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 143613245
4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420013

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol (CID 64753453) is 2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol is CCN(Cc1ccncc1)C1C(C)CC(C)CC1O.
What is the InChIKey of 2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol?
The InChIKey is IILSRVFYOKOWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18(11-14-5-7-17-8-6-14)16-13(3)9-12(2)10-15(16)19/h5-8,12-13,15-16,19H,4,9-11H2,1-3H3.
What are the key properties of 2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol?
2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64753453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).