2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine

C15H31NO — CID 116725214

IUPAC2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
SMILESCCOC(C(N)C1CCCC(C)C1)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-6-17-14(15(3,4)5)13(16)12-9-7-8-11(2)10-12/h11-14H,6-10,16H2,1-5H3
InChIKeyJPBHBDGTYXTQOE-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.59
Rot. Bonds4

About 2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine

2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine (PubChem CID 116725214) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
PubChem CID116725214
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
SMILESCCOC(C(N)C1CCCC(C)C1)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-6-17-14(15(3,4)5)13(16)12-9-7-8-11(2)10-12/h11-14H,6-10,16H2,1-5H3
InChIKeyJPBHBDGTYXTQOE-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 116724128
[2-ethoxy-1-(3-ethylcyclohexyl)-3,3-dimethylbutyl]hydrazine
CID 105273762
1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725873
2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine
CID 116716393
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475
3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine
CID 104992100
6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine
CID 104991953
1-(3-methylcyclohexyl)pentan-1-amine
CID 62603972
2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol
CID 115808372
3-ethoxy-2,2,5-trimethylheptan-4-amine
CID 116725356
3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine
CID 116725378

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine?
The IUPAC name of 2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine (CID 116725214) is 2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine is CCOC(C(N)C1CCCC(C)C1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine?
The InChIKey is JPBHBDGTYXTQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-17-14(15(3,4)5)13(16)12-9-7-8-11(2)10-12/h11-14H,6-10,16H2,1-5H3.
What are the key properties of 2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine?
2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine is sourced from PubChem (CID 116725214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).