1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol

C12H23NO2 — CID 106255210

IUPAC1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1C=CCCC1
InChIInChI=1S/C12H23NO2/c1-12(14,8-9-15-2)10-13-11-6-4-3-5-7-11/h4,6,11,13-14H,3,5,7-10H2,1-2H3
InChIKeyUNBVBSJFPJUXNJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.47
Rot. Bonds6

About 1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol

1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol (PubChem CID 106255210) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
PubChem CID106255210
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC1C=CCCC1
InChIInChI=1S/C12H23NO2/c1-12(14,8-9-15-2)10-13-11-6-4-3-5-7-11/h4,6,11,13-14H,3,5,7-10H2,1-2H3
InChIKeyUNBVBSJFPJUXNJ-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol
CID 106249580
trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol
CID 106255147
4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103699567
1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106249315
N-(2-methoxyethoxy)cyclohex-2-en-1-amine
CID 107907665
4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 102609647
4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol
CID 103699568
1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 103838373
4-methoxy-2-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103784160
1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol
CID 103784145
4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol
CID 102672202
4-methoxy-2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103784290

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol (CID 106255210) is 1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNC1C=CCCC1.
What is the InChIKey of 1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol?
The InChIKey is UNBVBSJFPJUXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(14,8-9-15-2)10-13-11-6-4-3-5-7-11/h4,6,11,13-14H,3,5,7-10H2,1-2H3.
What are the key properties of 1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol?
1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol has a molecular weight of 213.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106255210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).