N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine

C12H19N — CID 134966651

IUPACN-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
SMILESC/C=C/C1=CC(NC(C)C)=CCC1
InChIInChI=1S/C12H19N/c1-4-6-11-7-5-8-12(9-11)13-10(2)3/h4,6,8-10,13H,5,7H2,1-3H3/b6-4+
InChIKeySFTQRGCWSITWRI-GQCTYLIASA-N
MW177.29 g/mol
LogP3.16
Rot. Bonds3

About N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine

N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine (PubChem CID 134966651) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
PubChem CID134966651
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
SMILESC/C=C/C1=CC(NC(C)C)=CCC1
InChIInChI=1S/C12H19N/c1-4-6-11-7-5-8-12(9-11)13-10(2)3/h4,6,8-10,13H,5,7H2,1-3H3/b6-4+
InChIKeySFTQRGCWSITWRI-GQCTYLIASA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-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

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine (CID 134966651) is N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine is C/C=C/C1=CC(NC(C)C)=CCC1.
What is the InChIKey of N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine?
The InChIKey is SFTQRGCWSITWRI-GQCTYLIASA-N. The full InChI is InChI=1S/C12H19N/c1-4-6-11-7-5-8-12(9-11)13-10(2)3/h4,6,8-10,13H,5,7H2,1-3H3/b6-4+.
What are the key properties of N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine?
N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine has a molecular weight of 177.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 134966651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).