(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine

C14H20N2 — CID 81405941

IUPAC(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine
SMILESC[C@H](NCC1CC=CCC1)c1ccncc1
InChIInChI=1S/C14H20N2/c1-12(14-7-9-15-10-8-14)16-11-13-5-3-2-4-6-13/h2-3,7-10,12-13,16H,4-6,11H2,1H3/t12-,13?/m0/s1
InChIKeyXJZAXLXDSOMCCO-UEWDXFNNSA-N
MW216.33 g/mol
LogP3.09
Rot. Bonds4

About (1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine

(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine (PubChem CID 81405941) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine
PubChem CID81405941
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine
SMILESC[C@H](NCC1CC=CCC1)c1ccncc1
InChIInChI=1S/C14H20N2/c1-12(14-7-9-15-10-8-14)16-11-13-5-3-2-4-6-13/h2-3,7-10,12-13,16H,4-6,11H2,1H3/t12-,13?/m0/s1
InChIKeyXJZAXLXDSOMCCO-UEWDXFNNSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.09
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-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
CID 43223749
N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine
CID 62091594
(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363043
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115663663
N-(cyclohex-3-en-1-ylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 43677090
1-(4-bromo-2-fluorophenyl)-N-(cyclohex-3-en-1-ylmethyl)ethanamine
CID 82964326
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225394
2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine
CID 106345090

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine (CID 81405941) is (1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine is C[C@H](NCC1CC=CCC1)c1ccncc1.
What is the InChIKey of (1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine?
The InChIKey is XJZAXLXDSOMCCO-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H20N2/c1-12(14-7-9-15-10-8-14)16-11-13-5-3-2-4-6-13/h2-3,7-10,12-13,16H,4-6,11H2,1H3/t12-,13?/m0/s1.
What are the key properties of (1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine?
(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine has a molecular weight of 216.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81405941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).