N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine

C11H21N — CID 106830276

IUPACN-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine
SMILESC=CC(NC)C1(C)CCCCC1
InChIInChI=1S/C11H21N/c1-4-10(12-3)11(2)8-6-5-7-9-11/h4,10,12H,1,5-9H2,2-3H3
InChIKeyJFQUWRVQDWGURQ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds3

About N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine

N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine (PubChem CID 106830276) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine
PubChem CID106830276
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine
SMILESC=CC(NC)C1(C)CCCCC1
InChIInChI=1S/C11H21N/c1-4-10(12-3)11(2)8-6-5-7-9-11/h4,10,12H,1,5-9H2,2-3H3
InChIKeyJFQUWRVQDWGURQ-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine (CID 106830276) is N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine is C=CC(NC)C1(C)CCCCC1.
What is the InChIKey of N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine?
The InChIKey is JFQUWRVQDWGURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-10(12-3)11(2)8-6-5-7-9-11/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine?
N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylcyclohexyl)prop-2-en-1-amine is sourced from PubChem (CID 106830276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).