N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine

C10H17N — CID 89187896

IUPACN-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine
SMILESC=C(NC)C1CC=C(C)CC1
InChIInChI=1S/C10H17N/c1-8-4-6-10(7-5-8)9(2)11-3/h4,10-11H,2,5-7H2,1,3H3
InChIKeyPKTDIPMZDNCAEN-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.47
Rot. Bonds2

About N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine

N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine (PubChem CID 89187896) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine
PubChem CID89187896
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine
SMILESC=C(NC)C1CC=C(C)CC1
InChIInChI=1S/C10H17N/c1-8-4-6-10(7-5-8)9(2)11-3/h4,10-11H,2,5-7H2,1,3H3
InChIKeyPKTDIPMZDNCAEN-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine 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-1-(4-methylcyclohex-3-en-1-yl)ethenamine?
The IUPAC name of N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine (CID 89187896) is N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine.
What is the SMILES notation for N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine?
The canonical SMILES for N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine is C=C(NC)C1CC=C(C)CC1.
What is the InChIKey of N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine?
The InChIKey is PKTDIPMZDNCAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-4-6-10(7-5-8)9(2)11-3/h4,10-11H,2,5-7H2,1,3H3.
What are the key properties of N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine?
N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine has a molecular weight of 151.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine is sourced from PubChem (CID 89187896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).