3-(dimethylamino)prop-1-en-1-ol

C5H11NO — CID 173098720

IUPAC3-(dimethylamino)prop-1-en-1-ol
SMILESCN(C)CC=CO
InChIInChI=1S/C5H11NO/c1-6(2)4-3-5-7/h3,5,7H,4H2,1-2H3
InChIKeyUETRPWDUCKKETP-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.62
Rot. Bonds2

About 3-(dimethylamino)prop-1-en-1-ol

3-(dimethylamino)prop-1-en-1-ol (PubChem CID 173098720) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-(dimethylamino)prop-1-en-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)prop-1-en-1-ol
PubChem CID173098720
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-(dimethylamino)prop-1-en-1-ol
SMILESCN(C)CC=CO
InChIInChI=1S/C5H11NO/c1-6(2)4-3-5-7/h3,5,7H,4H2,1-2H3
InChIKeyUETRPWDUCKKETP-UHFFFAOYSA-N
XLogP0.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(diethylamino)prop-1-en-1-ol
CID 173388883
3-[ethyl(hydroxy)amino]prop-1-en-1-ol
CID 173045375
(E)-N,N,N',N'-tetramethylprop-1-ene-1,3-diamine
CID 6444340
(E)-3-bromo-N,N-dimethylprop-2-en-1-amine
CID 23271071
(E)-5-(dimethylamino)pent-3-en-2-ol
CID 130122470
(E)-N,N-dimethylpent-2-en-1-amine;hydrochloride
CID 155386408
(2E,4E)-N,N-dimethylhexa-2,4-dien-1-amine
CID 12628261
4-(dimethylamino)but-2-enamide;hydrochloride
CID 175776064
(E)-4-(dimethylamino)but-2-enamide;methane
CID 155781638
3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol
CID 173452786
N,N-dimethyl-3-trimethylsilylprop-2-en-1-amine;hydrochloride
CID 175180084
5-(dimethylamino)pent-3-enal
CID 174058957

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)prop-1-en-1-ol?
The IUPAC name of 3-(dimethylamino)prop-1-en-1-ol (CID 173098720) is 3-(dimethylamino)prop-1-en-1-ol.
What is the SMILES notation for 3-(dimethylamino)prop-1-en-1-ol?
The canonical SMILES for 3-(dimethylamino)prop-1-en-1-ol is CN(C)CC=CO.
What is the InChIKey of 3-(dimethylamino)prop-1-en-1-ol?
The InChIKey is UETRPWDUCKKETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-6(2)4-3-5-7/h3,5,7H,4H2,1-2H3.
What are the key properties of 3-(dimethylamino)prop-1-en-1-ol?
3-(dimethylamino)prop-1-en-1-ol has a molecular weight of 101.15 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)prop-1-en-1-ol is sourced from PubChem (CID 173098720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).