2-(cyclohex-2-en-1-ylamino)propane-1,3-diol

C9H17NO2 — CID 107907132

IUPAC2-(cyclohex-2-en-1-ylamino)propane-1,3-diol
SMILESOCC(CO)NC1C=CCCC1
InChIInChI=1S/C9H17NO2/c11-6-9(7-12)10-8-4-2-1-3-5-8/h2,4,8-12H,1,3,5-7H2
InChIKeyOKFDUMRSVIGWQO-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.04
Rot. Bonds4

About 2-(cyclohex-2-en-1-ylamino)propane-1,3-diol

2-(cyclohex-2-en-1-ylamino)propane-1,3-diol (PubChem CID 107907132) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(cyclohex-2-en-1-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(cyclohex-2-en-1-ylamino)propane-1,3-diol
PubChem CID107907132
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(cyclohex-2-en-1-ylamino)propane-1,3-diol
SMILESOCC(CO)NC1C=CCCC1
InChIInChI=1S/C9H17NO2/c11-6-9(7-12)10-8-4-2-1-3-5-8/h2,4,8-12H,1,3,5-7H2
InChIKeyOKFDUMRSVIGWQO-UHFFFAOYSA-N
XLogP0.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclobutylethyl)cyclohex-2-en-1-amine
CID 103903529
N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine
CID 130481453
1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol
CID 106285917
2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide
CID 103914307
2-(cyclohex-2-en-1-ylamino)-N-ethyl-N-methylpropanamide
CID 107908317
N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 104531391
N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
CID 106547294
3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol
CID 107907330
3-(cyclohex-2-en-1-ylamino)propanoic acid
CID 114620369
N-cyclohex-2-en-1-ylcyclooctanamine
CID 103830652

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-2-en-1-ylamino)propane-1,3-diol?
The IUPAC name of 2-(cyclohex-2-en-1-ylamino)propane-1,3-diol (CID 107907132) is 2-(cyclohex-2-en-1-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-(cyclohex-2-en-1-ylamino)propane-1,3-diol?
The canonical SMILES for 2-(cyclohex-2-en-1-ylamino)propane-1,3-diol is OCC(CO)NC1C=CCCC1.
What is the InChIKey of 2-(cyclohex-2-en-1-ylamino)propane-1,3-diol?
The InChIKey is OKFDUMRSVIGWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-6-9(7-12)10-8-4-2-1-3-5-8/h2,4,8-12H,1,3,5-7H2.
What are the key properties of 2-(cyclohex-2-en-1-ylamino)propane-1,3-diol?
2-(cyclohex-2-en-1-ylamino)propane-1,3-diol has a molecular weight of 171.24 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-2-en-1-ylamino)propane-1,3-diol is sourced from PubChem (CID 107907132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).