4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine

C19H39NO — CID 63474931

IUPAC4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine
SMILESCCCCCCC(C)OC1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C19H39NO/c1-7-8-9-10-11-15(2)21-18-14-16(19(3,4)5)12-13-17(18)20-6/h15-18,20H,7-14H2,1-6H3
InChIKeyZVSLLJUNGAUNCU-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.16
Rot. Bonds8

About 4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine

4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine (PubChem CID 63474931) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine
PubChem CID63474931
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine
SMILESCCCCCCC(C)OC1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C19H39NO/c1-7-8-9-10-11-15(2)21-18-14-16(19(3,4)5)12-13-17(18)20-6/h15-18,20H,7-14H2,1-6H3
InChIKeyZVSLLJUNGAUNCU-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.16
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

1-tert-butyl-4-hexan-2-yloxycyclohexane
CID 126552494
4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228
1,2-di(heptan-2-yloxy)cyclohexane
CID 91603551
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489
4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine
CID 63474740
4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 63467911
4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63494004
4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
CID 63473832
2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol
CID 55192847
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
2,2-diethyl-N-methyl-3-octan-2-yloxycyclobutan-1-amine
CID 66359037

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine (CID 63474931) is 4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine is CCCCCCC(C)OC1CC(C(C)(C)C)CCC1NC.
What is the InChIKey of 4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine?
The InChIKey is ZVSLLJUNGAUNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-7-8-9-10-11-15(2)21-18-14-16(19(3,4)5)12-13-17(18)20-6/h15-18,20H,7-14H2,1-6H3.
What are the key properties of 4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine?
4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine is sourced from PubChem (CID 63474931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).