1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine

C15H22N2 — CID 106652784

IUPAC1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)C1=CCCCCC1
InChIInChI=1S/C15H22N2/c1-16-15(12-13-8-10-17-11-9-13)14-6-4-2-3-5-7-14/h6,8-11,15-16H,2-5,7,12H2,1H3
InChIKeyZLKXDHSTDPBMBJ-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.10
Rot. Bonds4

About 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine

1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 106652784) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID106652784
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)C1=CCCCCC1
InChIInChI=1S/C15H22N2/c1-16-15(12-13-8-10-17-11-9-13)14-6-4-2-3-5-7-14/h6,8-11,15-16H,2-5,7,12H2,1H3
InChIKeyZLKXDHSTDPBMBJ-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.10
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

1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106652787
1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 62079036
1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 106652629
1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 106652697
1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine
CID 106657059
1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
CID 106653948
1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
CID 82237298
1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078209
1-(cycloocten-1-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106653108
1-(cyclohexen-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078161
[2-(4-chlorophenyl)-1-[(1E)-cycloocten-1-yl]ethyl]hydrazine
CID 106648598
[2-(4-bromophenyl)-1-(cyclohepten-1-yl)ethyl]hydrazine
CID 106648573

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine (CID 106652784) is 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine is CNC(Cc1ccncc1)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is ZLKXDHSTDPBMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-16-15(12-13-8-10-17-11-9-13)14-6-4-2-3-5-7-14/h6,8-11,15-16H,2-5,7,12H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine?
1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 230.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 106652784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).