2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine

C17H33N — CID 81026999

IUPAC2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine
SMILESCC1CCCC(C2CCCC2CNC(C)(C)C)C1
InChIInChI=1S/C17H33N/c1-13-7-5-8-14(11-13)16-10-6-9-15(16)12-18-17(2,3)4/h13-16,18H,5-12H2,1-4H3
InChIKeyJBKAFJRNZXXLSF-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds3

About 2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine

2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 81026999) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine
PubChem CID81026999
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine
SMILESCC1CCCC(C2CCCC2CNC(C)(C)C)C1
InChIInChI=1S/C17H33N/c1-13-7-5-8-14(11-13)16-10-6-9-15(16)12-18-17(2,3)4/h13-16,18H,5-12H2,1-4H3
InChIKeyJBKAFJRNZXXLSF-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 2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine (CID 81026999) is 2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine is CC1CCCC(C2CCCC2CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is JBKAFJRNZXXLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-13-7-5-8-14(11-13)16-10-6-9-15(16)12-18-17(2,3)4/h13-16,18H,5-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine?
2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-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 2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 81026999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).