1-(hexadecylamino)prop-2-en-1-ol

C19H39NO — CID 143379155

IUPAC1-(hexadecylamino)prop-2-en-1-ol
SMILESC=CC(O)NCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(21)4-2/h4,19-21H,2-3,5-18H2,1H3
InChIKeyZVIGZAMAYYZUKG-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.56
Rot. Bonds17

About 1-(hexadecylamino)prop-2-en-1-ol

1-(hexadecylamino)prop-2-en-1-ol (PubChem CID 143379155) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 1-(hexadecylamino)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(hexadecylamino)prop-2-en-1-ol
PubChem CID143379155
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name1-(hexadecylamino)prop-2-en-1-ol
SMILESC=CC(O)NCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(21)4-2/h4,19-21H,2-3,5-18H2,1H3
InChIKeyZVIGZAMAYYZUKG-UHFFFAOYSA-N
XLogP5.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(hexadecylamino)methanediol
CID 139772673
1-(hexylamino)propan-1-ol
CID 57070645
1-(pentylamino)dodecan-1-ol
CID 88518034
1-(hexadecylamino)docosan-1-ol
CID 88518088
2-(tetradecylamino)propane-1,1-diol
CID 174762987
1-(octylamino)dodecan-1-ol
CID 88518081
ethenol;heptadecane
CID 158851930
3-methyl-N-pentylpent-4-en-2-amine
CID 154998985
(2R,3R)-1-(hexadecylamino)pent-4-ene-2,3-diol
CID 127036661
5-(1-hydroxyprop-2-enylamino)pentyl 2,2-dimethylpropanoate
CID 134504834
N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride
CID 175149867
N-[1-(4-ethenylphenyl)ethyl]octadecan-1-amine
CID 20554605

Frequently Asked Questions

What is the IUPAC name of 1-(hexadecylamino)prop-2-en-1-ol?
The IUPAC name of 1-(hexadecylamino)prop-2-en-1-ol (CID 143379155) is 1-(hexadecylamino)prop-2-en-1-ol.
What is the SMILES notation for 1-(hexadecylamino)prop-2-en-1-ol?
The canonical SMILES for 1-(hexadecylamino)prop-2-en-1-ol is C=CC(O)NCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-(hexadecylamino)prop-2-en-1-ol?
The InChIKey is ZVIGZAMAYYZUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(21)4-2/h4,19-21H,2-3,5-18H2,1H3.
What are the key properties of 1-(hexadecylamino)prop-2-en-1-ol?
1-(hexadecylamino)prop-2-en-1-ol has a molecular weight of 297.53 g/mol, XLogP of 5.56, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexadecylamino)prop-2-en-1-ol is sourced from PubChem (CID 143379155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).