N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine

C14H24N2 — CID 123582601

IUPACN-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine
SMILESC=C(C=CC=CC)C(CN1CCCC1)NC
InChIInChI=1S/C14H24N2/c1-4-5-6-9-13(2)14(15-3)12-16-10-7-8-11-16/h4-6,9,14-15H,2,7-8,10-12H2,1,3H3
InChIKeyOUGKFRBNEAQLMV-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.36
Rot. Bonds6

About N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine

N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine (PubChem CID 123582601) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine
PubChem CID123582601
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine
SMILESC=C(C=CC=CC)C(CN1CCCC1)NC
InChIInChI=1S/C14H24N2/c1-4-5-6-9-13(2)14(15-3)12-16-10-7-8-11-16/h4-6,9,14-15H,2,7-8,10-12H2,1,3H3
InChIKeyOUGKFRBNEAQLMV-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine 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
Hexahydropyrrolo[3,4-b]indole
CID 129860054
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine
CID 142337278
4-cyclohexa-1,5-dien-1-yl-1-(4-fluoropyrrolidin-3-yl)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2,5-dihydropyrrole
CID 143005240
N-methyl-6-pyrrolidin-1-ylcyclohex-3-en-1-amine
CID 13606281
(1R,6R)-N-methyl-6-pyrrolidin-1-ylcyclohex-3-en-1-amine
CID 13606282
1H-Pyrrolo[3,4-B]pyridine, 2,3,5,6,7,7A-hexahydro-1-methyl-
CID 19047598
2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine
CID 19047600
3-Butyl-1,2,3a,7a-tetrahydrobenzimidazole
CID 21479123
[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine
CID 59032697

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine?
The IUPAC name of N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine (CID 123582601) is N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine.
What is the SMILES notation for N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine?
The canonical SMILES for N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine is C=C(C=CC=CC)C(CN1CCCC1)NC.
What is the InChIKey of N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine?
The InChIKey is OUGKFRBNEAQLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-5-6-9-13(2)14(15-3)12-16-10-7-8-11-16/h4-6,9,14-15H,2,7-8,10-12H2,1,3H3.
What are the key properties of N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine?
N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine has a molecular weight of 220.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine is sourced from PubChem (CID 123582601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).