2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine

C16H33N — CID 102904416

IUPAC2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
SMILESCC1CCC(C)C(NCC(C(C)C)C(C)C)C1
InChIInChI=1S/C16H33N/c1-11(2)15(12(3)4)10-17-16-9-13(5)7-8-14(16)6/h11-17H,7-10H2,1-6H3
InChIKeySIDJOKATDBJFOI-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.33
Rot. Bonds5

About 2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine

2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine (PubChem CID 102904416) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
PubChem CID102904416
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
SMILESCC1CCC(C)C(NCC(C(C)C)C(C)C)C1
InChIInChI=1S/C16H33N/c1-11(2)15(12(3)4)10-17-16-9-13(5)7-8-14(16)6/h11-17H,7-10H2,1-6H3
InChIKeySIDJOKATDBJFOI-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine
CID 64760108
2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine
CID 83143221
(2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
CID 79253771
N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 64774136
N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 114132559
2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine
CID 64774304
N-(2,5-dimethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
CID 64776142
2,5-dimethyl-N-(2-methylpropoxy)cyclohexan-1-amine
CID 82709397
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
N-cyclobutyl-2,5-dimethylcyclohexan-1-amine
CID 64761311
trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol
CID 102905272
2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine
CID 64762697

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine (CID 102904416) is 2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine is CC1CCC(C)C(NCC(C(C)C)C(C)C)C1.
What is the InChIKey of 2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine?
The InChIKey is SIDJOKATDBJFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-11(2)15(12(3)4)10-17-16-9-13(5)7-8-14(16)6/h11-17H,7-10H2,1-6H3.
What are the key properties of 2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine?
2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 102904416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).