1-[ethyl-(2-ethylcyclohexyl)amino]ethanol

C12H25NO — CID 89249438

IUPAC1-[ethyl-(2-ethylcyclohexyl)amino]ethanol
SMILESCCC1CCCCC1N(CC)C(C)O
InChIInChI=1S/C12H25NO/c1-4-11-8-6-7-9-12(11)13(5-2)10(3)14/h10-12,14H,4-9H2,1-3H3
InChIKeyQRVZMMLQVZLTKC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.62
Rot. Bonds4

About 1-[ethyl-(2-ethylcyclohexyl)amino]ethanol

1-[ethyl-(2-ethylcyclohexyl)amino]ethanol (PubChem CID 89249438) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[ethyl-(2-ethylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-[ethyl-(2-ethylcyclohexyl)amino]ethanol
PubChem CID89249438
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[ethyl-(2-ethylcyclohexyl)amino]ethanol
SMILESCCC1CCCCC1N(CC)C(C)O
InChIInChI=1S/C12H25NO/c1-4-11-8-6-7-9-12(11)13(5-2)10(3)14/h10-12,14H,4-9H2,1-3H3
InChIKeyQRVZMMLQVZLTKC-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[ethyl-(2-ethylcyclobutyl)amino]ethanol
CID 89249159
1-[ethyl-(2-methylcyclohexyl)amino]ethanol
CID 89249210
1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol
CID 71071156
3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide
CID 63863779
2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187895
2-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 60886338
1-[(2-methylcycloheptyl)-propylamino]ethanol
CID 71071733
4-ethyl-3-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 165497433
2-N-butan-2-yl-2-N-ethylcyclohexane-1,2-diamine
CID 43274468
trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol
CID 102731869
2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
CID 63470374
1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol
CID 63861143

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-(2-ethylcyclohexyl)amino]ethanol?
The IUPAC name of 1-[ethyl-(2-ethylcyclohexyl)amino]ethanol (CID 89249438) is 1-[ethyl-(2-ethylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-[ethyl-(2-ethylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-[ethyl-(2-ethylcyclohexyl)amino]ethanol is CCC1CCCCC1N(CC)C(C)O.
What is the InChIKey of 1-[ethyl-(2-ethylcyclohexyl)amino]ethanol?
The InChIKey is QRVZMMLQVZLTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11-8-6-7-9-12(11)13(5-2)10(3)14/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 1-[ethyl-(2-ethylcyclohexyl)amino]ethanol?
1-[ethyl-(2-ethylcyclohexyl)amino]ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(2-ethylcyclohexyl)amino]ethanol is sourced from PubChem (CID 89249438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).