3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine

C16H33N — CID 81016485

IUPAC3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC1CC(C)CC(C(C)C(C)CNC(C)C)C1
InChIInChI=1S/C16H33N/c1-11(2)17-10-14(5)15(6)16-8-12(3)7-13(4)9-16/h11-17H,7-10H2,1-6H3
InChIKeyROVOOESWYSXRRM-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.33
Rot. Bonds5

About 3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine

3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 81016485) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID81016485
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC1CC(C)CC(C(C)C(C)CNC(C)C)C1
InChIInChI=1S/C16H33N/c1-11(2)17-10-14(5)15(6)16-8-12(3)7-13(4)9-16/h11-17H,7-10H2,1-6H3
InChIKeyROVOOESWYSXRRM-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

2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine
CID 81016369
3-(3,5-dimethylcyclohexyl)butan-2-ol
CID 79423302
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine
CID 64730061
2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 24848525
3-(3,5-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62423056
cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
CID 130223743
1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
CID 64731273
3-cyclohexyl-N,2-dimethylbutan-1-amine
CID 81015775
5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
CID 64731034
4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64729558
N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine
CID 81015091
4-methoxy-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015723

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine (CID 81016485) is 3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine is CC1CC(C)CC(C(C)C(C)CNC(C)C)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is ROVOOESWYSXRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-11(2)17-10-14(5)15(6)16-8-12(3)7-13(4)9-16/h11-17H,7-10H2,1-6H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine?
3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-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 3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81016485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).