4-tert-butyl-N-octylcyclohexan-1-amine

C18H37N — CID 19818704

IUPAC4-tert-butyl-N-octylcyclohexan-1-amine
SMILESCCCCCCCCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37N/c1-5-6-7-8-9-10-15-19-17-13-11-16(12-14-17)18(2,3)4/h16-17,19H,5-15H2,1-4H3
InChIKeyPFSWUJPAVIJXQG-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.54
Rot. Bonds8

About 4-tert-butyl-N-octylcyclohexan-1-amine

4-tert-butyl-N-octylcyclohexan-1-amine (PubChem CID 19818704) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 4-tert-butyl-N-octylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-octylcyclohexan-1-amine
PubChem CID19818704
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name4-tert-butyl-N-octylcyclohexan-1-amine
SMILESCCCCCCCCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37N/c1-5-6-7-8-9-10-15-19-17-13-11-16(12-14-17)18(2,3)4/h16-17,19H,5-15H2,1-4H3
InChIKeyPFSWUJPAVIJXQG-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-octylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-octylcyclohexan-1-amine (CID 19818704) is 4-tert-butyl-N-octylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-octylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-octylcyclohexan-1-amine is CCCCCCCCNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-octylcyclohexan-1-amine?
The InChIKey is PFSWUJPAVIJXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-6-7-8-9-10-15-19-17-13-11-16(12-14-17)18(2,3)4/h16-17,19H,5-15H2,1-4H3.
What are the key properties of 4-tert-butyl-N-octylcyclohexan-1-amine?
4-tert-butyl-N-octylcyclohexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-octylcyclohexan-1-amine is sourced from PubChem (CID 19818704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).