(1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine

C16H24N2 — CID 103276961

IUPAC(1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCC1=CC(C)CC(CN[C@H](C)c2ccccn2)C1
InChIInChI=1S/C16H24N2/c1-12-8-13(2)10-15(9-12)11-18-14(3)16-6-4-5-7-17-16/h4-8,12,14-15,18H,9-11H2,1-3H3/t12?,14-,15?/m1/s1
InChIKeyUKUMENGWBIDDAW-HNFVBEJKSA-N
MW244.38 g/mol
LogP3.72
Rot. Bonds4

About (1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine

(1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 103276961) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID103276961
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCC1=CC(C)CC(CN[C@H](C)c2ccccn2)C1
InChIInChI=1S/C16H24N2/c1-12-8-13(2)10-15(9-12)11-18-14(3)16-6-4-5-7-17-16/h4-8,12,14-15,18H,9-11H2,1-3H3/t12?,14-,15?/m1/s1
InChIKeyUKUMENGWBIDDAW-HNFVBEJKSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-4-ylethanamine
CID 103276065
(1S)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-4-ylethanamine
CID 103276963
N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103276554
N-(cyclopentylmethyl)-1-pyridin-2-ylethanamine
CID 21279046
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 103276062
N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
CID 21279072
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 103276440
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329
N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 43202632
1-(2,4-difluorophenyl)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 103276257
5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one
CID 107529769

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine (CID 103276961) is (1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine is CC1=CC(C)CC(CN[C@H](C)c2ccccn2)C1.
What is the InChIKey of (1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is UKUMENGWBIDDAW-HNFVBEJKSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-8-13(2)10-15(9-12)11-18-14(3)16-6-4-5-7-17-16/h4-8,12,14-15,18H,9-11H2,1-3H3/t12?,14-,15?/m1/s1.
What are the key properties of (1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine?
(1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 244.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 103276961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).