N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline

C18H27N — CID 145235011

IUPACN-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline
SMILESC/C=C/CCC1CCC(c2ccc(NC)cc2)CC1
InChIInChI=1S/C18H27N/c1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19-2)14-12-17/h3-4,11-16,19H,5-10H2,1-2H3/b4-3+
InChIKeySXFPRYUZQTYLKK-ONEGZZNKSA-N
MW257.42 g/mol
LogP5.36
Rot. Bonds5

About N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline

N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline (PubChem CID 145235011) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline
PubChem CID145235011
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline
SMILESC/C=C/CCC1CCC(c2ccc(NC)cc2)CC1
InChIInChI=1S/C18H27N/c1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19-2)14-12-17/h3-4,11-16,19H,5-10H2,1-2H3/b4-3+
InChIKeySXFPRYUZQTYLKK-ONEGZZNKSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline 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-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline?
The IUPAC name of N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline (CID 145235011) is N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline.
What is the SMILES notation for N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline?
The canonical SMILES for N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline is C/C=C/CCC1CCC(c2ccc(NC)cc2)CC1.
What is the InChIKey of N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline?
The InChIKey is SXFPRYUZQTYLKK-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H27N/c1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19-2)14-12-17/h3-4,11-16,19H,5-10H2,1-2H3/b4-3+.
What are the key properties of N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline?
N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline has a molecular weight of 257.42 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline is sourced from PubChem (CID 145235011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).