N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine

C14H22N2 — CID 130323123

IUPACN-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCN(CC1=CC=CCC=C1)CC1CCCN1
InChIInChI=1S/C14H22N2/c1-16(12-14-9-6-10-15-14)11-13-7-4-2-3-5-8-13/h2,4-5,7-8,14-15H,3,6,9-12H2,1H3
InChIKeyJHXVGOCFVRREKQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.11
Rot. Bonds4

About N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine

N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 130323123) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
PubChem CID130323123
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCN(CC1=CC=CCC=C1)CC1CCCN1
InChIInChI=1S/C14H22N2/c1-16(12-14-9-6-10-15-14)11-13-7-4-2-3-5-8-13/h2,4-5,7-8,14-15H,3,6,9-12H2,1H3
InChIKeyJHXVGOCFVRREKQ-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dihydronicotin
CID 407255
(2S,4Z,6Z)-1-(3,3-difluoropyrrolidin-1-yl)-N-methyl-3-methylideneocta-4,6-dien-2-amine
CID 132122123
1-[(2Z,3Z)-2-(1-fluoroethylidene)-3-propylidenecyclopentyl]-N-methylpyrrolidin-3-amine
CID 156867955
1-cyclohepta-1,3-dien-1-yl-N-[[(2S)-4-fluoro-2,4-dimethylpyrrolidin-2-yl]methyl]-N-methylmethanamine
CID 164156258
(E)-N-[(4-fluoropyrrolidin-2-yl)methyl]-N-methylpent-3-en-1-amine
CID 172335323
N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N',N'-dimethylethane-1,2-diamine
CID 144147416
1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine
CID 20580866
(S)-1-(Pyrrolidin-2-ylmethyl)-1,2,3,6-tetrahydropyridine
CID 45088886
[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine
CID 59032697
N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]ethanamine
CID 68019176
(1S)-1-ethyl-N-methyl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine
CID 69794695
(2S,6Z)-1-N-[(2E,4E)-hepta-2,4,6-trienyl]-2-N,7-dimethylnona-6,8-diene-1,2-diamine
CID 88264131

Frequently Asked Questions

What is the IUPAC name of N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine (CID 130323123) is N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine is CN(CC1=CC=CCC=C1)CC1CCCN1.
What is the InChIKey of N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The InChIKey is JHXVGOCFVRREKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16(12-14-9-6-10-15-14)11-13-7-4-2-3-5-8-13/h2,4-5,7-8,14-15H,3,6,9-12H2,1H3.
What are the key properties of N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 130323123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).