1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine

C15H31NO — CID 116764007

IUPAC1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)C1(OCC)CCCCC1
InChIInChI=1S/C15H31NO/c1-5-16-14(12-13(3)4)15(17-6-2)10-8-7-9-11-15/h13-14,16H,5-12H2,1-4H3
InChIKeyXSPRGKPPXYXJQX-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds7

About 1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine

1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 116764007) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine
PubChem CID116764007
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)C1(OCC)CCCCC1
InChIInChI=1S/C15H31NO/c1-5-16-14(12-13(3)4)15(17-6-2)10-8-7-9-11-15/h13-14,16H,5-12H2,1-4H3
InChIKeyXSPRGKPPXYXJQX-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine
CID 116763096
1-(1-ethoxycyclohexyl)-N-ethyl-3-methylhexan-1-amine
CID 116764072
1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116764152
1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine
CID 116767273
2-cyclohexyl-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764108
1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine
CID 116764086
1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine
CID 116771028
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
1-(1-ethoxycycloheptyl)-N-ethylhex-4-yn-1-amine
CID 116770947
N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine
CID 115782896
N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine
CID 116770390
1-(1-ethoxycyclopentyl)-N-ethyl-3-phenylpropan-1-amine
CID 116762128

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine (CID 116764007) is 1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine is CCNC(CC(C)C)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is XSPRGKPPXYXJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-16-14(12-13(3)4)15(17-6-2)10-8-7-9-11-15/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine?
1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 116764007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).