2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine

C16H33N — CID 81031384

IUPAC2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)CC1CC(C)CCC1CNC(C)(C)C
InChIInChI=1S/C16H33N/c1-12(2)9-15-10-13(3)7-8-14(15)11-17-16(4,5)6/h12-15,17H,7-11H2,1-6H3
InChIKeyWNFOTVKWOUSACM-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.47
Rot. Bonds4

About 2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine

2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81031384) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
PubChem CID81031384
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)CC1CC(C)CCC1CNC(C)(C)C
InChIInChI=1S/C16H33N/c1-12(2)9-15-10-13(3)7-8-14(15)11-17-16(4,5)6/h12-15,17H,7-11H2,1-6H3
InChIKeyWNFOTVKWOUSACM-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81024627
N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81032369
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
CID 81033652
4-methyl-2-(2-methylpropyl)cyclohexan-1-amine
CID 55134788
(1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane
CID 55253031
N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81021871
2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81031122
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033829
1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol
CID 143693119
N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82935432
2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 83148411
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81035109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine (CID 81031384) is 2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine is CC(C)CC1CC(C)CCC1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is WNFOTVKWOUSACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-12(2)9-15-10-13(3)7-8-14(15)11-17-16(4,5)6/h12-15,17H,7-11H2,1-6H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81031384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).