2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine

C17H33N — CID 55261404

IUPAC2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine
SMILESCC1(CNC2CCCCC2C(C)(C)C)CCCC1
InChIInChI=1S/C17H33N/c1-16(2,3)14-9-5-6-10-15(14)18-13-17(4)11-7-8-12-17/h14-15,18H,5-13H2,1-4H3
InChIKeyPIYCCHYSCNNXFG-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds3

About 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine

2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine (PubChem CID 55261404) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine
PubChem CID55261404
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine
SMILESCC1(CNC2CCCCC2C(C)(C)C)CCCC1
InChIInChI=1S/C17H33N/c1-16(2,3)14-9-5-6-10-15(14)18-13-17(4)11-7-8-12-17/h14-15,18H,5-13H2,1-4H3
InChIKeyPIYCCHYSCNNXFG-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine (CID 55261404) is 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine is CC1(CNC2CCCCC2C(C)(C)C)CCCC1.
What is the InChIKey of 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine?
The InChIKey is PIYCCHYSCNNXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-16(2,3)14-9-5-6-10-15(14)18-13-17(4)11-7-8-12-17/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine?
2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 55261404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).