1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol

C13H25NO — CID 114493047

IUPAC1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCCC1=CCCCC1
InChIInChI=1S/C13H25NO/c1-3-13(2,15)11-14-10-9-12-7-5-4-6-8-12/h7,14-15H,3-6,8-11H2,1-2H3
InChIKeyJHDAJISKTLJETF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds6

About 1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol

1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol (PubChem CID 114493047) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
PubChem CID114493047
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCCC1=CCCCC1
InChIInChI=1S/C13H25NO/c1-3-13(2,15)11-14-10-9-12-7-5-4-6-8-12/h7,14-15H,3-6,8-11H2,1-2H3
InChIKeyJHDAJISKTLJETF-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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-[2-(Cyclohexen-1-yl)ethylamino]ethanol
CID 55209957
2-methyl-1-[[(Z)-octadec-9-enyl]amino]propan-2-ol
CID 146623905
2,4-Dimethyl-3-(nonylamino)hex-4-en-2-ol
CID 150708407
3-(Decylamino)-2,4-dimethylhex-4-en-2-ol
CID 161540807
(4Z)-4-(azepan-4-ylidene)-2-methylbutan-2-ol
CID 166706406
1-[[2-(Cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol
CID 55038351
1-{[(Cyclohex-3-en-1-yl)methyl]amino}-2-methylpropan-2-ol
CID 61950742
1-[2-(Cyclohexen-1-yl)ethylamino]propan-2-ol
CID 62325261
1-[2-(Cyclohexen-1-yl)ethylamino]-2-methylpropan-2-ol
CID 62325262
1-[2-(Cyclohexen-1-yl)ethylamino]butan-2-ol
CID 62325451
3-[(Cyclohex-3-en-1-ylmethylamino)methyl]pentan-3-ol
CID 65105296
1-(Cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol
CID 65107748

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol (CID 114493047) is 1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol?
The InChIKey is JHDAJISKTLJETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-13(2,15)11-14-10-9-12-7-5-4-6-8-12/h7,14-15H,3-6,8-11H2,1-2H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol?
1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 114493047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).