4-tert-butyl-N-propan-2-ylcyclohexan-1-amine

C13H27N — CID 9120262

IUPAC4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-10(2)14-12-8-6-11(7-9-12)13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyGIWFAODVBQFQCT-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds2

About 4-tert-butyl-N-propan-2-ylcyclohexan-1-amine

4-tert-butyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 9120262) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-tert-butyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID9120262
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-10(2)14-12-8-6-11(7-9-12)13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyGIWFAODVBQFQCT-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-propan-2-ylcyclohexan-1-amine (CID 9120262) is 4-tert-butyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-propan-2-ylcyclohexan-1-amine is CC(C)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is GIWFAODVBQFQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)14-12-8-6-11(7-9-12)13(3,4)5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 4-tert-butyl-N-propan-2-ylcyclohexan-1-amine?
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 9120262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).