4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine

C19H28N2 — CID 67925273

IUPAC4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2C=CC(C3=CCC=CC3)=CC2)CC1
InChIInChI=1S/C19H28N2/c20-19-8-6-16(7-9-19)10-13-21-14-11-18(12-15-21)17-4-2-1-3-5-17/h1-2,5,11-12,14,16,19H,3-4,6-10,13,15,20H2
InChIKeyLAFJRUVUVSSKHQ-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.93
Rot. Bonds4

About 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine

4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 67925273) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine
PubChem CID67925273
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2C=CC(C3=CCC=CC3)=CC2)CC1
InChIInChI=1S/C19H28N2/c20-19-8-6-16(7-9-19)10-13-21-14-11-18(12-15-21)17-4-2-1-3-5-17/h1-2,5,11-12,14,16,19H,3-4,6-10,13,15,20H2
InChIKeyLAFJRUVUVSSKHQ-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-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-cyclohexa-2,4-dien-1-yl-N'-[3-(cyclohexylmethyl)but-3-en-2-yl]-N-ethenyl-3-fluoropropane-1,3-diamine
CID 175613106
n-Butyloctahydro-acridine
CID 129690727
N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine
CID 18335842
(8aS,12aS)-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine
CID 18646885
6,6a,7,8,8a,12a-Hexahydrobenzo[a]phenanthridine
CID 19824115
6-Pentyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine
CID 54510107
2,3,4,4a,9a,9b,10,11,12,13-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine
CID 66674003
2,3,4,4a,6,7,8,9,9a,9b-decahydro-1H-pyrido[1,2-f]phenanthridin-8-amine
CID 66674004
6-Butyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine
CID 67309389
(7R)-10-methyl-5,10-diazapentacyclo[9.7.1.17,18.02,6.012,17]icosa-1(18),2(6),12(17),15-tetraene
CID 67897149
4-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)cyclohexan-1-amine
CID 67925259
1,6,7,8,9,9a,10,10a-Octahydropyrido[2,3-g]quinoline
CID 67926141

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine (CID 67925273) is 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine is NC1CCC(CCN2C=CC(C3=CCC=CC3)=CC2)CC1.
What is the InChIKey of 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is LAFJRUVUVSSKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c20-19-8-6-16(7-9-19)10-13-21-14-11-18(12-15-21)17-4-2-1-3-5-17/h1-2,5,11-12,14,16,19H,3-4,6-10,13,15,20H2.
What are the key properties of 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine?
4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyclohexa-1,4-dien-1-yl-2H-pyridin-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 67925273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).