N-cyclopropylcyclohexa-2,4-dien-1-amine

C9H13N — CID 148926844

IUPACN-cyclopropylcyclohexa-2,4-dien-1-amine
SMILESC1=CCC(NC2CC2)C=C1
InChIInChI=1S/C9H13N/c1-2-4-8(5-3-1)10-9-6-7-9/h1-4,8-10H,5-7H2
InChIKeyPLDPCNLSEQJQSH-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.62
Rot. Bonds2

About N-cyclopropylcyclohexa-2,4-dien-1-amine

N-cyclopropylcyclohexa-2,4-dien-1-amine (PubChem CID 148926844) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-cyclopropylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-cyclopropylcyclohexa-2,4-dien-1-amine
PubChem CID148926844
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-cyclopropylcyclohexa-2,4-dien-1-amine
SMILESC1=CCC(NC2CC2)C=C1
InChIInChI=1S/C9H13N/c1-2-4-8(5-3-1)10-9-6-7-9/h1-4,8-10H,5-7H2
InChIKeyPLDPCNLSEQJQSH-UHFFFAOYSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-cyclopropylcyclohexa-2,4-dien-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

rac-(2R,6R)-2,6-diallyl-1,2,3,6-tetrahydropyridine
CID 2832191
2-Allyl-6-methyl-1,2,3,6-tetrahydropyridine
CID 3600922
(2S,6S)-2,6-di(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine
CID 6353401
(2S,6S)-6-Methyl-2-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine
CID 7258814
2-Allyl-1,2,3,6-tetrahydropyridine
CID 12967355
2-Methyl-1,2,3,6-tetrahydro-pyridine
CID 20216100
N-[(3E)-hexa-3,5-dienyl]cyclopropanamine
CID 55299594
(3Z)-N-ethylhexa-3,5-dien-2-amine
CID 163672375
N-ethyl-2,4-difluorocyclohexa-2,4-dien-1-amine
CID 141791245
1-fluoro-N-propylcyclohexa-2,4-dien-1-amine
CID 163416951
(2S,6R)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1380951
cis-2,6-Diallyl-1,2,5,6-tetrahydropyridine
CID 1380952

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-cyclopropylcyclohexa-2,4-dien-1-amine (CID 148926844) is N-cyclopropylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-cyclopropylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-cyclopropylcyclohexa-2,4-dien-1-amine is C1=CCC(NC2CC2)C=C1.
What is the InChIKey of N-cyclopropylcyclohexa-2,4-dien-1-amine?
The InChIKey is PLDPCNLSEQJQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-4-8(5-3-1)10-9-6-7-9/h1-4,8-10H,5-7H2.
What are the key properties of N-cyclopropylcyclohexa-2,4-dien-1-amine?
N-cyclopropylcyclohexa-2,4-dien-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 148926844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).