2-(prop-2-enylamino)tetradecane-1,1-diol

C17H35NO2 — CID 175295299

IUPAC2-(prop-2-enylamino)tetradecane-1,1-diol
SMILESC=CCNC(CCCCCCCCCCCC)C(O)O
InChIInChI=1S/C17H35NO2/c1-3-5-6-7-8-9-10-11-12-13-14-16(17(19)20)18-15-4-2/h4,16-20H,2-3,5-15H2,1H3
InChIKeyJSVWAMNODPURSY-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.75
Rot. Bonds15

About 2-(prop-2-enylamino)tetradecane-1,1-diol

2-(prop-2-enylamino)tetradecane-1,1-diol (PubChem CID 175295299) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 2-(prop-2-enylamino)tetradecane-1,1-diol.

Molecular Properties

Compound Name2-(prop-2-enylamino)tetradecane-1,1-diol
PubChem CID175295299
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name2-(prop-2-enylamino)tetradecane-1,1-diol
SMILESC=CCNC(CCCCCCCCCCCC)C(O)O
InChIInChI=1S/C17H35NO2/c1-3-5-6-7-8-9-10-11-12-13-14-16(17(19)20)18-15-4-2/h4,16-20H,2-3,5-15H2,1H3
InChIKeyJSVWAMNODPURSY-UHFFFAOYSA-N
XLogP3.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine
CID 118539190
N-prop-2-enylundecan-6-amine
CID 43755395
2-(hydroxyamino)tetradecane-1,1-diol
CID 175106364
2-N-prop-2-enylheptane-1,2-diamine
CID 65385138
(4R)-dodec-1-en-4-ol
CID 11074077
1-(prop-2-enylamino)butan-1-ol;hydrochloride
CID 174837372
2-pentyl-N-prop-2-enylundecanamide
CID 5180097
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
undec-1-en-3-ol
CID 3015762
N-prop-2-enylheptan-3-amine
CID 63946261
nonadec-18-en-7-ol
CID 54362965

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)tetradecane-1,1-diol?
The IUPAC name of 2-(prop-2-enylamino)tetradecane-1,1-diol (CID 175295299) is 2-(prop-2-enylamino)tetradecane-1,1-diol.
What is the SMILES notation for 2-(prop-2-enylamino)tetradecane-1,1-diol?
The canonical SMILES for 2-(prop-2-enylamino)tetradecane-1,1-diol is C=CCNC(CCCCCCCCCCCC)C(O)O.
What is the InChIKey of 2-(prop-2-enylamino)tetradecane-1,1-diol?
The InChIKey is JSVWAMNODPURSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-3-5-6-7-8-9-10-11-12-13-14-16(17(19)20)18-15-4-2/h4,16-20H,2-3,5-15H2,1H3.
What are the key properties of 2-(prop-2-enylamino)tetradecane-1,1-diol?
2-(prop-2-enylamino)tetradecane-1,1-diol has a molecular weight of 285.47 g/mol, XLogP of 3.75, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)tetradecane-1,1-diol is sourced from PubChem (CID 175295299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).