1-(cyclohepten-1-yl)-2-(propylamino)ethanol

C12H23NO — CID 106654886

IUPAC1-(cyclohepten-1-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)C1=CCCCCC1
InChIInChI=1S/C12H23NO/c1-2-9-13-10-12(14)11-7-5-3-4-6-8-11/h7,12-14H,2-6,8-10H2,1H3
InChIKeyQEIZAMHCOXDBQV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds5

About 1-(cyclohepten-1-yl)-2-(propylamino)ethanol

1-(cyclohepten-1-yl)-2-(propylamino)ethanol (PubChem CID 106654886) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(propylamino)ethanol
PubChem CID106654886
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(cyclohepten-1-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)C1=CCCCCC1
InChIInChI=1S/C12H23NO/c1-2-9-13-10-12(14)11-7-5-3-4-6-8-11/h7,12-14H,2-6,8-10H2,1H3
InChIKeyQEIZAMHCOXDBQV-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'}

Analyze 1-(cyclohepten-1-yl)-2-(propylamino)ethanol 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

cis-(1R,2R,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
CID 24936063
2-Amino-1-cyclooct-1-enyl-ethanol
CID 44272154
2-Amino-1-(cycloocten-1-yl)ethanol
CID 54016638
3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
CID 10330722
7-(2,3,6,7-tetrahydro-1H-azepin-4-yl)heptan-1-ol
CID 67951253
(4E)-4-pent-4-enylideneazepan-3-ol
CID 68199949
(Z)-1-(2-hydroxyethylamino)icos-11-en-2-ol
CID 88103884
N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide
CID 118920479
1-(Cyclohexen-1-yl)-1-(methylamino)propan-2-ol
CID 123328567
(Z)-1-(methylamino)icos-11-en-2-ol
CID 140697791
(12E)-12-ethenyl-1-(octylamino)pentadeca-12,14-diene-2,13-diol;methanol
CID 141827297
Ethane;[2-(ethylamino)cyclohepten-1-yl]methanol
CID 143063219

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(propylamino)ethanol?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(propylamino)ethanol (CID 106654886) is 1-(cyclohepten-1-yl)-2-(propylamino)ethanol.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(propylamino)ethanol?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(propylamino)ethanol is CCCNCC(O)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(propylamino)ethanol?
The InChIKey is QEIZAMHCOXDBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-9-13-10-12(14)11-7-5-3-4-6-8-11/h7,12-14H,2-6,8-10H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(propylamino)ethanol?
1-(cyclohepten-1-yl)-2-(propylamino)ethanol 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 1-(cyclohepten-1-yl)-2-(propylamino)ethanol is sourced from PubChem (CID 106654886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).