1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol

C13H25NO — CID 106285917

IUPAC1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC1C=CCCC1
InChIInChI=1S/C13H25NO/c1-3-11(4-2)13(15)10-14-12-8-6-5-7-9-12/h6,8,11-15H,3-5,7,9-10H2,1-2H3
InChIKeyUBTXBSBFMOXWPV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds6

About 1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol

1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol (PubChem CID 106285917) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol
PubChem CID106285917
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC1C=CCCC1
InChIInChI=1S/C13H25NO/c1-3-11(4-2)13(15)10-14-12-8-6-5-7-9-12/h6,8,11-15H,3-5,7,9-10H2,1-2H3
InChIKeyUBTXBSBFMOXWPV-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol
CID 107907330
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
2-(cyclohex-2-en-1-ylamino)propane-1,3-diol
CID 107907132
N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
CID 106547294
1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol
CID 106284770
N-propylcyclooct-2-en-1-amine
CID 123644376
N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
N-(5-methylhexyl)cyclohex-2-en-1-amine
CID 107907594
3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol
CID 106284636
3-(cyclohex-2-en-1-ylamino)propanoic acid
CID 114620369
1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255210
N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine
CID 107907027

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol?
The IUPAC name of 1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol (CID 106285917) is 1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol is CCC(CC)C(O)CNC1C=CCCC1.
What is the InChIKey of 1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol?
The InChIKey is UBTXBSBFMOXWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-11(4-2)13(15)10-14-12-8-6-5-7-9-12/h6,8,11-15H,3-5,7,9-10H2,1-2H3.
What are the key properties of 1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol?
1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol is sourced from PubChem (CID 106285917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).