N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine

C14H29NO — CID 102977935

IUPACN-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNC(C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-12(13-8-6-5-7-9-13)15-11-10-14(2,3)16-4/h12-13,15H,5-11H2,1-4H3
InChIKeyMCKCJQIJSYKBOG-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds6

About N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine

N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 102977935) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
PubChem CID102977935
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNC(C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-12(13-8-6-5-7-9-13)15-11-10-14(2,3)16-4/h12-13,15H,5-11H2,1-4H3
InChIKeyMCKCJQIJSYKBOG-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
CID 81391072
4-[[(1S)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384605
4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81391896
N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine
CID 81384504
N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine
CID 107445909
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 103939598
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
CID 103019940
(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81384150
1-cyclopentyl-N-ethyl-5-methoxy-5-methylhexan-1-amine
CID 103034619
(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine (CID 102977935) is N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CCNC(C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is MCKCJQIJSYKBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(13-8-6-5-7-9-13)15-11-10-14(2,3)16-4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine?
N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 102977935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).