N-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine

C9H17N — CID 131143272

IUPACN-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine
SMILESCNCC1(C)CC=CCC1
InChIInChI=1S/C9H17N/c1-9(8-10-2)6-4-3-5-7-9/h3-4,10H,5-8H2,1-2H3
InChIKeyNTRQVYUKAITMOE-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds2

About N-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine

N-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine (PubChem CID 131143272) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine
PubChem CID131143272
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine
SMILESCNCC1(C)CC=CCC1
InChIInChI=1S/C9H17N/c1-9(8-10-2)6-4-3-5-7-9/h3-4,10H,5-8H2,1-2H3
InChIKeyNTRQVYUKAITMOE-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine 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-(1-methylcyclohex-3-en-1-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine (CID 131143272) is N-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine is CNCC1(C)CC=CCC1.
What is the InChIKey of N-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine?
The InChIKey is NTRQVYUKAITMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-9(8-10-2)6-4-3-5-7-9/h3-4,10H,5-8H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine?
N-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylcyclohex-3-en-1-yl)methanamine is sourced from PubChem (CID 131143272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).