N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine

C19H30N2 — CID 144619284

IUPACN-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESC=C(NC1CN2CCC1CC2)/C(C)=C/C=C1CCCCC1
InChIInChI=1S/C19H30N2/c1-15(8-9-17-6-4-3-5-7-17)16(2)20-19-14-21-12-10-18(19)11-13-21/h8-9,18-20H,2-7,10-14H2,1H3/b15-8+
InChIKeyPUXQEDXZCMCVTE-OVCLIPMQSA-N
MW286.46 g/mol
LogP4.02
Rot. Bonds4

About N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine

N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 144619284) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID144619284
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESC=C(NC1CN2CCC1CC2)/C(C)=C/C=C1CCCCC1
InChIInChI=1S/C19H30N2/c1-15(8-9-17-6-4-3-5-7-17)16(2)20-19-14-21-12-10-18(19)11-13-21/h8-9,18-20H,2-7,10-14H2,1H3/b15-8+
InChIKeyPUXQEDXZCMCVTE-OVCLIPMQSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-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

1-[6-Fluoro-4-(6-methylidenepiperidin-3-yl)cyclohexa-1,3-dien-1-yl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 177362813
(10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene
CID 21036491
N-cyclohexa-2,4-dien-1-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 68359711
(3R)-N-cyclohexa-2,4-dien-1-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 71207665
N-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085391
3-(4-ethylidene-5-propylidene-1H-pyrrol-3-yl)-1-methyl-1-azoniabicyclo[2.2.2]octane
CID 90696908
4-[(5,6-dimethylidene-3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]-N-[(2E)-4-(4-methylpiperidin-1-yl)penta-2,4-dien-2-yl]cyclohexan-1-amine
CID 139420168
N-[2-[(1R)-6-ethylcyclohexa-2,4-dien-1-yl]ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 141288013
N-[2-[(1R)-6-methylcyclohexa-2,4-dien-1-yl]ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 141288024
N-[2-[(1S)-6-ethylcyclohexa-2,4-dien-1-yl]ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 141288027
(3R)-N-cyclohexa-1,3-dien-1-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 143244065
N-cyclohexa-1,3-dien-1-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 143407498

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine (CID 144619284) is N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine is C=C(NC1CN2CCC1CC2)/C(C)=C/C=C1CCCCC1.
What is the InChIKey of N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is PUXQEDXZCMCVTE-OVCLIPMQSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(8-9-17-6-4-3-5-7-17)16(2)20-19-14-21-12-10-18(19)11-13-21/h8-9,18-20H,2-7,10-14H2,1H3/b15-8+.
What are the key properties of N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 286.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-5-cyclohexylidene-3-methylpenta-1,3-dien-2-yl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 144619284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).