1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine

C14H20N2 — CID 80709369

IUPAC1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1ccc(CNCC2CC=CCC2)nc1
InChIInChI=1S/C14H20N2/c1-12-7-8-14(16-9-12)11-15-10-13-5-3-2-4-6-13/h2-3,7-9,13,15H,4-6,10-11H2,1H3
InChIKeyOQLZLJOKCDNCPS-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.84
Rot. Bonds4

About 1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine

1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 80709369) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine
PubChem CID80709369
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1ccc(CNCC2CC=CCC2)nc1
InChIInChI=1S/C14H20N2/c1-12-7-8-14(16-9-12)11-15-10-13-5-3-2-4-6-13/h2-3,7-9,13,15H,4-6,10-11H2,1H3
InChIKeyOQLZLJOKCDNCPS-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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-[(5-methyl-2-pyridinyl)methyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

2-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-methylphenol
CID 63325012
1-(2-methylcyclopropyl)-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 115698887
N-[(5-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 80708604
1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride
CID 115611314
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961758
N-[(5-methyl-2-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115698907
1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 60957859
2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone
CID 162401384
6-[(cyclopentylmethylamino)methyl]pyridin-3-ol
CID 79776493
2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde
CID 159250873
3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
CID 80707820
N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062661

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine (CID 80709369) is 1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine is Cc1ccc(CNCC2CC=CCC2)nc1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is OQLZLJOKCDNCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-12-7-8-14(16-9-12)11-15-10-13-5-3-2-4-6-13/h2-3,7-9,13,15H,4-6,10-11H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 216.33 g/mol, XLogP of 2.84, 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-[(5-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 80709369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).