5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine

C16H33N — CID 83161046

IUPAC5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
SMILESCC(C)CCCC(N)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H33N/c1-12(2)6-5-7-16(17)15-10-8-14(9-11-15)13(3)4/h12-16H,5-11,17H2,1-4H3
InChIKeyLKPMMTAIEAGQCX-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.60
Rot. Bonds6

About 5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine

5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine (PubChem CID 83161046) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
PubChem CID83161046
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
SMILESCC(C)CCCC(N)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H33N/c1-12(2)6-5-7-16(17)15-10-8-14(9-11-15)13(3)4/h12-16H,5-11,17H2,1-4H3
InChIKeyLKPMMTAIEAGQCX-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine?
The IUPAC name of 5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine (CID 83161046) is 5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine?
The canonical SMILES for 5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine is CC(C)CCCC(N)C1CCC(C(C)C)CC1.
What is the InChIKey of 5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine?
The InChIKey is LKPMMTAIEAGQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-12(2)6-5-7-16(17)15-10-8-14(9-11-15)13(3)4/h12-16H,5-11,17H2,1-4H3.
What are the key properties of 5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine?
5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine is sourced from PubChem (CID 83161046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).