3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine

C14H27NO — CID 79113657

IUPAC3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine
SMILESC=CCCCOCCNC1CCCC(C)C1
InChIInChI=1S/C14H27NO/c1-3-4-5-10-16-11-9-15-14-8-6-7-13(2)12-14/h3,13-15H,1,4-12H2,2H3
InChIKeyFAKSBZRLGAQYIS-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds8

About 3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine

3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine (PubChem CID 79113657) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine
PubChem CID79113657
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine
SMILESC=CCCCOCCNC1CCCC(C)C1
InChIInChI=1S/C14H27NO/c1-3-4-5-10-16-11-9-15-14-8-6-7-13(2)12-14/h3,13-15H,1,4-12H2,2H3
InChIKeyFAKSBZRLGAQYIS-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(2-pent-4-enoxyethyl)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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine (CID 79113657) is 3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine is C=CCCCOCCNC1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine?
The InChIKey is FAKSBZRLGAQYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-10-16-11-9-15-14-8-6-7-13(2)12-14/h3,13-15H,1,4-12H2,2H3.
What are the key properties of 3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine?
3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pent-4-enoxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 79113657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).