2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine

C19H32N2 — CID 63483230

IUPAC2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)Cc1ccccc1
InChIInChI=1S/C19H32N2/c1-4-12-20-19-11-10-16(2)13-18(19)15-21(3)14-17-8-6-5-7-9-17/h5-9,16,18-20H,4,10-15H2,1-3H3
InChIKeyGRMBGOWUFXPQTJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.92
Rot. Bonds7

About 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine

2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 63483230) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
PubChem CID63483230
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)Cc1ccccc1
InChIInChI=1S/C19H32N2/c1-4-12-20-19-11-10-16(2)13-18(19)15-21(3)14-17-8-6-5-7-9-17/h5-9,16,18-20H,4,10-15H2,1-3H3
InChIKeyGRMBGOWUFXPQTJ-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine (CID 63483230) is 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1CN(C)Cc1ccccc1.
What is the InChIKey of 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is GRMBGOWUFXPQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-12-20-19-11-10-16(2)13-18(19)15-21(3)14-17-8-6-5-7-9-17/h5-9,16,18-20H,4,10-15H2,1-3H3.
What are the key properties of 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine?
2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63483230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).