N-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine

C14H27N — CID 174464341

IUPACN-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine
SMILESCCCN(C)CC=CC1CCC(C)CC1
InChIInChI=1S/C14H27N/c1-4-11-15(3)12-5-6-14-9-7-13(2)8-10-14/h5-6,13-14H,4,7-12H2,1-3H3
InChIKeyQBTMZYDNUMJTQW-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.71
Rot. Bonds5

About N-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine

N-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine (PubChem CID 174464341) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine
PubChem CID174464341
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine
SMILESCCCN(C)CC=CC1CCC(C)CC1
InChIInChI=1S/C14H27N/c1-4-11-15(3)12-5-6-14-9-7-13(2)8-10-14/h5-6,13-14H,4,7-12H2,1-3H3
InChIKeyQBTMZYDNUMJTQW-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
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-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine?
The IUPAC name of N-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine (CID 174464341) is N-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for N-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine is CCCN(C)CC=CC1CCC(C)CC1.
What is the InChIKey of N-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine?
The InChIKey is QBTMZYDNUMJTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-11-15(3)12-5-6-14-9-7-13(2)8-10-14/h5-6,13-14H,4,7-12H2,1-3H3.
What are the key properties of N-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine?
N-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 174464341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).