1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine

C15H31N — CID 104575536

IUPAC1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31N/c1-11(2)14(16)10-12-6-8-13(9-7-12)15(3,4)5/h11-14H,6-10,16H2,1-5H3
InChIKeyZHEFSXNIPSOJDT-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.21
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine

1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine (PubChem CID 104575536) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine
PubChem CID104575536
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31N/c1-11(2)14(16)10-12-6-8-13(9-7-12)15(3,4)5/h11-14H,6-10,16H2,1-5H3
InChIKeyZHEFSXNIPSOJDT-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine (CID 104575536) is 1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine is CC(C)C(N)CC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine?
The InChIKey is ZHEFSXNIPSOJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-11(2)14(16)10-12-6-8-13(9-7-12)15(3,4)5/h11-14H,6-10,16H2,1-5H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine?
1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine is sourced from PubChem (CID 104575536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).