N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine

C15H31NO — CID 103529191

IUPACN-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCCC1CCCCC1
InChIInChI=1S/C15H31NO/c1-15(2,10-12-17-3)13-16-11-9-14-7-5-4-6-8-14/h14,16H,4-13H2,1-3H3
InChIKeyQUHLBQGTNJIZAG-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds8

About N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine

N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine (PubChem CID 103529191) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine
PubChem CID103529191
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCCC1CCCCC1
InChIInChI=1S/C15H31NO/c1-15(2,10-12-17-3)13-16-11-9-14-7-5-4-6-8-14/h14,16H,4-13H2,1-3H3
InChIKeyQUHLBQGTNJIZAG-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
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

N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204587
3-(2-cyclohexylethylamino)-2,2-dimethylpropan-1-ol
CID 81411941
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
N-(2-cyclopentylethyl)-3-methoxypropan-1-amine
CID 54856807
4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine
CID 104625195
2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide
CID 54957148
2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid
CID 115001166
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
N-(2-methoxyethyl)-2,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165816
5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688
2,2-dimethyl-N-(2-piperidin-4-ylethyl)pentan-1-amine
CID 115211733
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine?
The IUPAC name of N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine (CID 103529191) is N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine is COCCC(C)(C)CNCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine?
The InChIKey is QUHLBQGTNJIZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-15(2,10-12-17-3)13-16-11-9-14-7-5-4-6-8-14/h14,16H,4-13H2,1-3H3.
What are the key properties of N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine?
N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103529191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).