2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine

C18H38N2 — CID 63493665

IUPAC2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(CN(C)C(C)C(C)(C)C)C1
InChIInChI=1S/C18H38N2/c1-8-9-15-10-11-17(19-6)16(12-15)13-20(7)14(2)18(3,4)5/h14-17,19H,8-13H2,1-7H3
InChIKeyKGZNBPOCOZTXGO-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.16
Rot. Bonds6

About 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine

2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 63493665) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
PubChem CID63493665
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(CN(C)C(C)C(C)(C)C)C1
InChIInChI=1S/C18H38N2/c1-8-9-15-10-11-17(19-6)16(12-15)13-20(7)14(2)18(3,4)5/h14-17,19H,8-13H2,1-7H3
InChIKeyKGZNBPOCOZTXGO-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[[methyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093934
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N,4-diethylcyclohexan-1-amine
CID 63493475
2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 62616762
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
4-ethyl-N-methyl-2-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 62615381
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-amine
CID 62609264
2-[cyclopropyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 55094432
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 62608874
4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63494004
2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine
CID 103034583
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine (CID 63493665) is 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(CN(C)C(C)C(C)(C)C)C1.
What is the InChIKey of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is KGZNBPOCOZTXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-8-9-15-10-11-17(19-6)16(12-15)13-20(7)14(2)18(3,4)5/h14-17,19H,8-13H2,1-7H3.
What are the key properties of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine?
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63493665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).