1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride

C14H21ClN2 — CID 115611314

IUPAC1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride
SMILESCc1ncccc1CNCC1CC=CCC1.Cl
InChIInChI=1S/C14H20N2.ClH/c1-12-14(8-5-9-16-12)11-15-10-13-6-3-2-4-7-13;/h2-3,5,8-9,13,15H,4,6-7,10-11H2,1H3;1H
InChIKeyNUOFJAHROGNWKO-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.26
Rot. Bonds4

About 1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride

1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride (PubChem CID 115611314) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride
PubChem CID115611314
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride
SMILESCc1ncccc1CNCC1CC=CCC1.Cl
InChIInChI=1S/C14H20N2.ClH/c1-12-14(8-5-9-16-12)11-15-10-13-6-3-2-4-7-13;/h2-3,5,8-9,13,15H,4,6-7,10-11H2,1H3;1H
InChIKeyNUOFJAHROGNWKO-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

1-[(1S)-cyclohex-3-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]methanamine
CID 124568387
1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine
CID 79979311
2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611231
(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274150
1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 80709369
2-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-methylphenol
CID 63325012
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961741
N-[(2-methyl-3-pyridinyl)methyl]-1-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95305026
(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95751286
tert-butyl (3R)-3-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97351178
N-[(2-methyl-3-pyridinyl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129005157
1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine
CID 107235576

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride (CID 115611314) is 1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride is Cc1ncccc1CNCC1CC=CCC1.Cl.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride?
The InChIKey is NUOFJAHROGNWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.ClH/c1-12-14(8-5-9-16-12)11-15-10-13-6-3-2-4-7-13;/h2-3,5,8-9,13,15H,4,6-7,10-11H2,1H3;1H.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride?
1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 115611314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).