2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine

C19H39N — CID 81031122

IUPAC2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCCC(C)CC1CC(C(C)C)CCC1CNC(C)(C)C
InChIInChI=1S/C19H39N/c1-8-15(4)11-18-12-16(14(2)3)9-10-17(18)13-20-19(5,6)7/h14-18,20H,8-13H2,1-7H3
InChIKeyUEHUOUCIAVIMPX-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.50
Rot. Bonds6

About 2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine

2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (PubChem CID 81031122) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
PubChem CID81031122
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCCC(C)CC1CC(C(C)C)CCC1CNC(C)(C)C
InChIInChI=1S/C19H39N/c1-8-15(4)11-18-12-16(14(2)3)9-10-17(18)13-20-19(5,6)7/h14-18,20H,8-13H2,1-7H3
InChIKeyUEHUOUCIAVIMPX-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81021871
N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030307
N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81031272
N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82935432
1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane
CID 63471498
2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81031384
N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029701
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
2-methyl-N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81026173
2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020503
N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 81030393
2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 107138156

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (CID 81031122) is 2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine is CCC(C)CC1CC(C(C)C)CCC1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The InChIKey is UEHUOUCIAVIMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-8-15(4)11-18-12-16(14(2)3)9-10-17(18)13-20-19(5,6)7/h14-18,20H,8-13H2,1-7H3.
What are the key properties of 2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine has a molecular weight of 281.53 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81031122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).