3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol

C14H29NO — CID 165491780

IUPAC3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol
SMILESCCCCN(CC)C1CC(O)CCC1CC
InChIInChI=1S/C14H29NO/c1-4-7-10-15(6-3)14-11-13(16)9-8-12(14)5-2/h12-14,16H,4-11H2,1-3H3
InChIKeyCTFJYIDPORHKJQ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds6

About 3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol

3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol (PubChem CID 165491780) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol
PubChem CID165491780
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol
SMILESCCCCN(CC)C1CC(O)CCC1CC
InChIInChI=1S/C14H29NO/c1-4-7-10-15(6-3)14-11-13(16)9-8-12(14)5-2/h12-14,16H,4-11H2,1-3H3
InChIKeyCTFJYIDPORHKJQ-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butyl(methyl)amino]-4-ethylcyclohexan-1-ol
CID 165497432
2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
CID 43293551
4-ethyl-3-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 165497433
3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
CID 165497912
(3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol
CID 126847057
2-[butyl-(2-ethylcyclohexyl)amino]ethanol
CID 63861495
3,4-dibutylcyclohexan-1-ol
CID 71347162
4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
CID 165491972
2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
CID 43293554
3-(diethylamino)cyclopentan-1-ol
CID 79643942
3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol
CID 165498158
2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293547

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol?
The IUPAC name of 3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol (CID 165491780) is 3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol is CCCCN(CC)C1CC(O)CCC1CC.
What is the InChIKey of 3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol?
The InChIKey is CTFJYIDPORHKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-7-10-15(6-3)14-11-13(16)9-8-12(14)5-2/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol?
3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 165491780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).