4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine

C19H39NO — CID 63474740

IUPAC4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine
SMILESCCCCCCOC1CC(C(C)(C)C)CCC1NCCC
InChIInChI=1S/C19H39NO/c1-6-8-9-10-14-21-18-15-16(19(3,4)5)11-12-17(18)20-13-7-2/h16-18,20H,6-15H2,1-5H3
InChIKeyUNBCRGGYBLODGL-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.17
Rot. Bonds9

About 4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine

4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine (PubChem CID 63474740) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine
PubChem CID63474740
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine
SMILESCCCCCCOC1CC(C(C)(C)C)CCC1NCCC
InChIInChI=1S/C19H39NO/c1-6-8-9-10-14-21-18-15-16(19(3,4)5)11-12-17(18)20-13-7-2/h16-18,20H,6-15H2,1-5H3
InChIKeyUNBCRGGYBLODGL-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
CID 63473832
2-octoxy-N-propylcyclooctan-1-amine
CID 63476166
2-octoxy-N-propylcycloheptan-1-amine
CID 63473942
4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
4-tert-butyl-2-hexoxycyclohexane-1-carbonitrile
CID 43292760
4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine
CID 63686191
3-octoxy-2-propoxy-N-propylcyclobutan-1-amine
CID 107943487
2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine
CID 104676257
N-ethyl-2-octoxy-4-propylcyclohexan-1-amine
CID 63474035
2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466743
4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63401494
2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol
CID 90089070

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine (CID 63474740) is 4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine is CCCCCCOC1CC(C(C)(C)C)CCC1NCCC.
What is the InChIKey of 4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine?
The InChIKey is UNBCRGGYBLODGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-6-8-9-10-14-21-18-15-16(19(3,4)5)11-12-17(18)20-13-7-2/h16-18,20H,6-15H2,1-5H3.
What are the key properties of 4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine?
4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63474740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).