1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol

C14H29NO — CID 107429716

IUPAC1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCCNC(C)C1(O)CCCC(CC(C)C)C1
InChIInChI=1S/C14H29NO/c1-5-15-12(4)14(16)8-6-7-13(10-14)9-11(2)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeyHLIKWSXRJVXAAR-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds5

About 1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol

1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429716) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429716
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCCNC(C)C1(O)CCCC(CC(C)C)C1
InChIInChI=1S/C14H29NO/c1-5-15-12(4)14(16)8-6-7-13(10-14)9-11(2)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeyHLIKWSXRJVXAAR-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429641
1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429492
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
5-(2-methylpropyl)-1-oxaspiro[2.5]octane
CID 107430385
1-methyl-3-(2-methylpropyl)cycloheptan-1-ol
CID 18356800
3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 107429669
methyl 2-[1-(ethylamino)-3-(2-methylpropyl)cyclohexyl]acetate
CID 107430508
1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide
CID 107429240
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429754
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429592
4-ethyl-1-propan-2-ylcycloheptan-1-ol
CID 65085832
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429508

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429716) is 1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol is CCNC(C)C1(O)CCCC(CC(C)C)C1.
What is the InChIKey of 1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is HLIKWSXRJVXAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-15-12(4)14(16)8-6-7-13(10-14)9-11(2)3/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol?
1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)ethyl]-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).