2-[bis(prop-2-enyl)amino]propan-1-ol

C9H17NO — CID 15147727

IUPAC2-[bis(prop-2-enyl)amino]propan-1-ol
SMILESC=CCN(CC=C)C(C)CO
InChIInChI=1S/C9H17NO/c1-4-6-10(7-5-2)9(3)8-11/h4-5,9,11H,1-2,6-8H2,3H3
InChIKeyMQXFNMDDADUDRY-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.04
Rot. Bonds6

About 2-[bis(prop-2-enyl)amino]propan-1-ol

2-[bis(prop-2-enyl)amino]propan-1-ol (PubChem CID 15147727) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]propan-1-ol
PubChem CID15147727
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-[bis(prop-2-enyl)amino]propan-1-ol
SMILESC=CCN(CC=C)C(C)CO
InChIInChI=1S/C9H17NO/c1-4-6-10(7-5-2)9(3)8-11/h4-5,9,11H,1-2,6-8H2,3H3
InChIKeyMQXFNMDDADUDRY-UHFFFAOYSA-N
XLogP1.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Diallylamino)ethanol
CID 253018
Allyl dimethyl hydroxyethylammonium chloride
CID 14327232
2-[Methyl(prop-2-enyl)amino]ethanol
CID 3780678
Allyl tris-(2-hydroxyethyl)ammonium chloride
CID 87969591
(2S)-2-(dimethylamino)but-3-en-1-ol
CID 138983091
2-(Diethylamino)but-3-en-1-ol
CID 226116
2-[Methyl(prop-2-enyl)amino]but-3-en-1-ol
CID 130130247
2-[Ethyl(prop-2-enyl)amino]ethanol
CID 12376442
2-Hydroxyethyl-methyl-bis(prop-2-enyl)azanium
CID 13778202
2-Propen-1-aminium, N-(2-hydroxyethyl)-N,N-dimethyl-, bromide
CID 13778208
2-Hydroxyethyl-dimethyl-prop-2-enylazanium
CID 13778209
Tris(2-hydroxyethyl)-prop-2-enylazanium bromide
CID 14533859

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]propan-1-ol?
The IUPAC name of 2-[bis(prop-2-enyl)amino]propan-1-ol (CID 15147727) is 2-[bis(prop-2-enyl)amino]propan-1-ol.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]propan-1-ol?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]propan-1-ol is C=CCN(CC=C)C(C)CO.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]propan-1-ol?
The InChIKey is MQXFNMDDADUDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-10(7-5-2)9(3)8-11/h4-5,9,11H,1-2,6-8H2,3H3.
What are the key properties of 2-[bis(prop-2-enyl)amino]propan-1-ol?
2-[bis(prop-2-enyl)amino]propan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]propan-1-ol is sourced from PubChem (CID 15147727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).