1-[prop-1-en-2-yl(propyl)amino]ethanol

C8H17NO — CID 123217766

IUPAC1-[prop-1-en-2-yl(propyl)amino]ethanol
SMILESC=C(C)N(CCC)C(C)O
InChIInChI=1S/C8H17NO/c1-5-6-9(7(2)3)8(4)10/h8,10H,2,5-6H2,1,3-4H3
InChIKeyYJIVVWIKUYCSLJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.57
Rot. Bonds4

About 1-[prop-1-en-2-yl(propyl)amino]ethanol

1-[prop-1-en-2-yl(propyl)amino]ethanol (PubChem CID 123217766) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-[prop-1-en-2-yl(propyl)amino]ethanol.

Molecular Properties

Compound Name1-[prop-1-en-2-yl(propyl)amino]ethanol
PubChem CID123217766
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-[prop-1-en-2-yl(propyl)amino]ethanol
SMILESC=C(C)N(CCC)C(C)O
InChIInChI=1S/C8H17NO/c1-5-6-9(7(2)3)8(4)10/h8,10H,2,5-6H2,1,3-4H3
InChIKeyYJIVVWIKUYCSLJ-UHFFFAOYSA-N
XLogP1.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-Hydroxyethyl(prop-1-en-2-yl)amino]ethanol
CID 45088074
2-[But-1-en-2-yl(methyl)amino]ethanol
CID 58166114
3-[3-Hydroxypropyl(prop-1-en-2-yl)amino]propan-1-ol
CID 88991967
2-[Ethyl(prop-1-en-2-yl)amino]ethanol
CID 118426590
2-[Methyl(prop-1-en-2-yl)amino]ethanol
CID 123488296
ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine
CID 142132517
2-[Methyl(propyl)amino]but-1-en-1-ol
CID 142860030
2-[Methyl(prop-1-en-2-yl)amino]ethanol;hydrate
CID 143127607
3-[Ethyl(prop-1-en-2-yl)amino]propan-1-ol
CID 143512276
1-[Methyl(prop-1-en-2-yl)amino]propan-1-ol
CID 143693701
Ethane;3-[3-hydroxypropyl(prop-1-en-2-yl)amino]propan-1-ol
CID 144452899
2-[Butyl(methyl)amino]prop-2-en-1-ol;ethane
CID 144460427

Frequently Asked Questions

What is the IUPAC name of 1-[prop-1-en-2-yl(propyl)amino]ethanol?
The IUPAC name of 1-[prop-1-en-2-yl(propyl)amino]ethanol (CID 123217766) is 1-[prop-1-en-2-yl(propyl)amino]ethanol.
What is the SMILES notation for 1-[prop-1-en-2-yl(propyl)amino]ethanol?
The canonical SMILES for 1-[prop-1-en-2-yl(propyl)amino]ethanol is C=C(C)N(CCC)C(C)O.
What is the InChIKey of 1-[prop-1-en-2-yl(propyl)amino]ethanol?
The InChIKey is YJIVVWIKUYCSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6-9(7(2)3)8(4)10/h8,10H,2,5-6H2,1,3-4H3.
What are the key properties of 1-[prop-1-en-2-yl(propyl)amino]ethanol?
1-[prop-1-en-2-yl(propyl)amino]ethanol has a molecular weight of 143.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[prop-1-en-2-yl(propyl)amino]ethanol is sourced from PubChem (CID 123217766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).