2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine

C20H41N — CID 83148411

IUPAC2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)(C)C)C(CCCC(C)C)C1
InChIInChI=1S/C20H41N/c1-7-9-17-12-13-19(15-21-20(4,5)6)18(14-17)11-8-10-16(2)3/h16-19,21H,7-15H2,1-6H3
InChIKeyYAIUNHCGIZLDIA-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.03
Rot. Bonds8

About 2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine

2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine (PubChem CID 83148411) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine
PubChem CID83148411
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)(C)C)C(CCCC(C)C)C1
InChIInChI=1S/C20H41N/c1-7-9-17-12-13-19(15-21-20(4,5)6)18(14-17)11-8-10-16(2)3/h16-19,21H,7-15H2,1-6H3
InChIKeyYAIUNHCGIZLDIA-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030062
N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81025982
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029901
1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
CID 81029078
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
CID 81033652
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81025989
N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 83163463
2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81031384
N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82935432
N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81031272

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine (CID 83148411) is 2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine is CCCC1CCC(CNC(C)(C)C)C(CCCC(C)C)C1.
What is the InChIKey of 2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine?
The InChIKey is YAIUNHCGIZLDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-7-9-17-12-13-19(15-21-20(4,5)6)18(14-17)11-8-10-16(2)3/h16-19,21H,7-15H2,1-6H3.
What are the key properties of 2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine has a molecular weight of 295.56 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 83148411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).