1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol

C12H23NO — CID 106654889

IUPAC1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)C1=CCCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)13-9-12(14)11-7-5-3-4-6-8-11/h7,10,12-14H,3-6,8-9H2,1-2H3
InChIKeySBODBVSXZRPBDU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds4

About 1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol

1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol (PubChem CID 106654889) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol
PubChem CID106654889
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)C1=CCCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)13-9-12(14)11-7-5-3-4-6-8-11/h7,10,12-14H,3-6,8-9H2,1-2H3
InChIKeySBODBVSXZRPBDU-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(cyclohepten-1-yl)-2-(propan-2-ylamino)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
(E)-1-piperidin-2-ylpent-3-en-2-ol
CID 6377936
3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
CID 10330722
(2S,6R)-4-ethyl-6-(hexylamino)cyclohex-4-ene-1,2,3-triol
CID 60041215
7-(2,3,6,7-tetrahydro-1H-azepin-4-yl)heptan-1-ol
CID 67951253
(1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol
CID 70669966
1-[(4-Hydroxy-5-methylhex-5-en-3-yl)amino]octadecan-1-ol
CID 91342522
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
4-Methyl-2-(methylamino)hex-4-en-3-ol
CID 123366894
5-Methyl-7-(trideca-7,12-dien-2-ylamino)cyclohept-2-en-1-ol
CID 123953265
(E,2S,3R)-2-(2-hydroxyhexacosylamino)octadec-4-ene-1,3-diol
CID 140532269

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol (CID 106654889) is 1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol?
The InChIKey is SBODBVSXZRPBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13-9-12(14)11-7-5-3-4-6-8-11/h7,10,12-14H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol?
1-(cyclohepten-1-yl)-2-(propan-2-ylamino)ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 4 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-(propan-2-ylamino)ethanol is sourced from PubChem (CID 106654889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).