5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine

C17H33N — CID 43317464

IUPAC5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCCC(NC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C17H33N/c1-12(2)16-9-8-14(4)11-17(16)18-15-7-5-6-13(3)10-15/h12-18H,5-11H2,1-4H3
InChIKeyHZFQBBGNKXUZEF-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds3

About 5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine

5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 43317464) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID43317464
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCCC(NC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C17H33N/c1-12(2)16-9-8-14(4)11-17(16)18-15-7-5-6-13(3)10-15/h12-18H,5-11H2,1-4H3
InChIKeyHZFQBBGNKXUZEF-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine (CID 43317464) is 5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine is CC1CCCC(NC2CC(C)CCC2C(C)C)C1.
What is the InChIKey of 5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is HZFQBBGNKXUZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-12(2)16-9-8-14(4)11-17(16)18-15-7-5-6-13(3)10-15/h12-18H,5-11H2,1-4H3.
What are the key properties of 5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43317464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).