1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine

C14H20N2 — CID 82237298

IUPAC1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
SMILESCNC(C1=CCCCCC1)c1ccncc1
InChIInChI=1S/C14H20N2/c1-15-14(13-8-10-16-11-9-13)12-6-4-2-3-5-7-12/h6,8-11,14-15H,2-5,7H2,1H3
InChIKeyGPMXMIYOKVDPNV-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.23
Rot. Bonds3

About 1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine

1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine (PubChem CID 82237298) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
PubChem CID82237298
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
SMILESCNC(C1=CCCCCC1)c1ccncc1
InChIInChI=1S/C14H20N2/c1-15-14(13-8-10-16-11-9-13)12-6-4-2-3-5-7-12/h6,8-11,14-15H,2-5,7H2,1H3
InChIKeyGPMXMIYOKVDPNV-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.23
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-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-(cyclohexen-1-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106756069
1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 106656528
1-(cyclopenten-1-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 62079794
1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 106653201
1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 55034413
1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106652784
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930
1-(4-chloro-3-fluorophenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 107995961
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 55160436
1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 62080331
1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine
CID 106652944

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine (CID 82237298) is 1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine is CNC(C1=CCCCCC1)c1ccncc1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine?
The InChIKey is GPMXMIYOKVDPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-15-14(13-8-10-16-11-9-13)12-6-4-2-3-5-7-12/h6,8-11,14-15H,2-5,7H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine?
1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine has a molecular weight of 216.33 g/mol, XLogP of 3.23, 3 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-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 82237298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).