N-methyl-4-prop-2-ynylcyclohexan-1-amine

C10H17N — CID 57233700

IUPACN-methyl-4-prop-2-ynylcyclohexan-1-amine
SMILESC#CCC1CCC(NC)CC1
InChIInChI=1S/C10H17N/c1-3-4-9-5-7-10(11-2)8-6-9/h1,9-11H,4-8H2,2H3
InChIKeyZNALONOPZLJZAQ-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.79
Rot. Bonds2

About N-methyl-4-prop-2-ynylcyclohexan-1-amine

N-methyl-4-prop-2-ynylcyclohexan-1-amine (PubChem CID 57233700) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-methyl-4-prop-2-ynylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-prop-2-ynylcyclohexan-1-amine
PubChem CID57233700
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-methyl-4-prop-2-ynylcyclohexan-1-amine
SMILESC#CCC1CCC(NC)CC1
InChIInChI=1S/C10H17N/c1-3-4-9-5-7-10(11-2)8-6-9/h1,9-11H,4-8H2,2H3
InChIKeyZNALONOPZLJZAQ-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-4-prop-2-ynylcyclohexan-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-methyl-4-prop-2-ynylcyclohexan-1-amine?
The IUPAC name of N-methyl-4-prop-2-ynylcyclohexan-1-amine (CID 57233700) is N-methyl-4-prop-2-ynylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-prop-2-ynylcyclohexan-1-amine?
The canonical SMILES for N-methyl-4-prop-2-ynylcyclohexan-1-amine is C#CCC1CCC(NC)CC1.
What is the InChIKey of N-methyl-4-prop-2-ynylcyclohexan-1-amine?
The InChIKey is ZNALONOPZLJZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-9-5-7-10(11-2)8-6-9/h1,9-11H,4-8H2,2H3.
What are the key properties of N-methyl-4-prop-2-ynylcyclohexan-1-amine?
N-methyl-4-prop-2-ynylcyclohexan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-prop-2-ynylcyclohexan-1-amine is sourced from PubChem (CID 57233700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).