2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol

C12H23NO — CID 106654909

IUPAC2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol
SMILESCCNCCC(C)(O)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-3-13-10-9-12(2,14)11-7-5-4-6-8-11/h7,13-14H,3-6,8-10H2,1-2H3
InChIKeyPBGNYVAWPYXWNN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds5

About 2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol

2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol (PubChem CID 106654909) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol
PubChem CID106654909
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol
SMILESCCNCCC(C)(O)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-3-13-10-9-12(2,14)11-7-5-4-6-8-11/h7,13-14H,3-6,8-10H2,1-2H3
InChIKeyPBGNYVAWPYXWNN-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol
CID 106654920
2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol
CID 106654928
2-(2,3-dihydrofuran-5-yl)-4-(ethylamino)butan-2-ol
CID 102652326
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol
CID 106651664
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 106650901
2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine
CID 116662260
2-(cyclohexen-1-yl)but-3-en-2-ol
CID 11332570
2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol
CID 106651265
2-[(1E)-cycloocten-1-yl]-1-(2-fluorophenyl)propan-2-ol
CID 106651662
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
2-(cyclohexen-1-yl)propan-2-yl 2,2-dimethylbutanoate
CID 163511434

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol?
The IUPAC name of 2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol (CID 106654909) is 2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol is CCNCCC(C)(O)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol?
The InChIKey is PBGNYVAWPYXWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-13-10-9-12(2,14)11-7-5-4-6-8-11/h7,13-14H,3-6,8-10H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol?
2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol is sourced from PubChem (CID 106654909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).