5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine

C15H31N — CID 43710072

IUPAC5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)CNC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H31N/c1-6-12(4)10-16-15-9-13(5)7-8-14(15)11(2)3/h11-16H,6-10H2,1-5H3
InChIKeyXVPCJYIAEUSJFE-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.08
Rot. Bonds5

About 5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine

5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 43710072) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID43710072
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)CNC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H31N/c1-6-12(4)10-16-15-9-13(5)7-8-14(15)11(2)3/h11-16H,6-10H2,1-5H3
InChIKeyXVPCJYIAEUSJFE-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
N-(2-ethoxypropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 115724398
5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 63464522
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
CID 130962040
5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43105975
N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63944923
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
CID 115976292
6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216
(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine
CID 66573625
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol
CID 115723128

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine (CID 43710072) is 5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine is CCC(C)CNC1CC(C)CCC1C(C)C.
What is the InChIKey of 5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is XVPCJYIAEUSJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-12(4)10-16-15-9-13(5)7-8-14(15)11(2)3/h11-16H,6-10H2,1-5H3.
What are the key properties of 5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine?
5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43710072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).