2-tert-butyl-1-cycloheptylcyclohexan-1-amine

C17H33N — CID 82931284

IUPAC2-tert-butyl-1-cycloheptylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)C1CCCCCC1
InChIInChI=1S/C17H33N/c1-16(2,3)15-12-8-9-13-17(15,18)14-10-6-4-5-7-11-14/h14-15H,4-13,18H2,1-3H3
InChIKeyRUMHDEFSQLKVES-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.89
Rot. Bonds1

About 2-tert-butyl-1-cycloheptylcyclohexan-1-amine

2-tert-butyl-1-cycloheptylcyclohexan-1-amine (PubChem CID 82931284) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-tert-butyl-1-cycloheptylcyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-cycloheptylcyclohexan-1-amine
PubChem CID82931284
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-tert-butyl-1-cycloheptylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)C1CCCCCC1
InChIInChI=1S/C17H33N/c1-16(2,3)15-12-8-9-13-17(15,18)14-10-6-4-5-7-11-14/h14-15H,4-13,18H2,1-3H3
InChIKeyRUMHDEFSQLKVES-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-cycloheptylcyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-cycloheptylcyclohexan-1-amine (CID 82931284) is 2-tert-butyl-1-cycloheptylcyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-cycloheptylcyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-cycloheptylcyclohexan-1-amine is CC(C)(C)C1CCCCC1(N)C1CCCCCC1.
What is the InChIKey of 2-tert-butyl-1-cycloheptylcyclohexan-1-amine?
The InChIKey is RUMHDEFSQLKVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-16(2,3)15-12-8-9-13-17(15,18)14-10-6-4-5-7-11-14/h14-15H,4-13,18H2,1-3H3.
What are the key properties of 2-tert-butyl-1-cycloheptylcyclohexan-1-amine?
2-tert-butyl-1-cycloheptylcyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-cycloheptylcyclohexan-1-amine is sourced from PubChem (CID 82931284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).