4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine

C17H36N2 — CID 102627942

IUPAC4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCCC(C)CN(CC)CC1CCC(N)C(C)C1(C)C
InChIInChI=1S/C17H36N2/c1-7-13(3)11-19(8-2)12-15-9-10-16(18)14(4)17(15,5)6/h13-16H,7-12,18H2,1-6H3
InChIKeyQMSUTKTUGLAZQU-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.75
Rot. Bonds6

About 4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine

4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102627942) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102627942
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCCC(C)CN(CC)CC1CCC(N)C(C)C1(C)C
InChIInChI=1S/C17H36N2/c1-7-13(3)11-19(8-2)12-15-9-10-16(18)14(4)17(15,5)6/h13-16H,7-12,18H2,1-6H3
InChIKeyQMSUTKTUGLAZQU-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine (CID 102627942) is 4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine is CCC(C)CN(CC)CC1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is QMSUTKTUGLAZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-13(3)11-19(8-2)12-15-9-10-16(18)14(4)17(15,5)6/h13-16H,7-12,18H2,1-6H3.
What are the key properties of 4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102627942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).