3-[bis(prop-2-enyl)amino]propyl acetate

C11H19NO2 — CID 87133425

IUPAC3-[bis(prop-2-enyl)amino]propyl acetate
SMILESC=CCN(CC=C)CCCOC(C)=O
InChIInChI=1S/C11H19NO2/c1-4-7-12(8-5-2)9-6-10-14-11(3)13/h4-5H,1-2,6-10H2,3H3
InChIKeyWHDFVPKPCKNXQD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds8

About 3-[bis(prop-2-enyl)amino]propyl acetate

3-[bis(prop-2-enyl)amino]propyl acetate (PubChem CID 87133425) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]propyl acetate.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]propyl acetate
PubChem CID87133425
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-[bis(prop-2-enyl)amino]propyl acetate
SMILESC=CCN(CC=C)CCCOC(C)=O
InChIInChI=1S/C11H19NO2/c1-4-7-12(8-5-2)9-6-10-14-11(3)13/h4-5H,1-2,6-10H2,3H3
InChIKeyWHDFVPKPCKNXQD-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hex-5-enyl acetate
CID 537536
2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate
CID 57261073
pentadec-14-enyl acetate
CID 87443745
nonadec-18-enyl acetate
CID 87443633
ethyl 7-[bis(prop-2-enyl)amino]heptanoate
CID 15467062
butyl acetate;N-prop-2-enylprop-2-en-1-amine
CID 175248136
2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
4-hydroxybutyl acetate;prop-2-enyl acetate
CID 88766466
1-O-(4-acetyloxybutyl) 2-O-(4-prop-2-enoyloxybutyl) oxalate
CID 123616376
2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate
CID 88985186
11-acetyloxyundecyl acetate
CID 87784419
4-buta-1,3-dien-2-yloxybutyl acetate
CID 89122366

Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)amino]propyl acetate?
The IUPAC name of 3-[bis(prop-2-enyl)amino]propyl acetate (CID 87133425) is 3-[bis(prop-2-enyl)amino]propyl acetate.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]propyl acetate?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]propyl acetate is C=CCN(CC=C)CCCOC(C)=O.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]propyl acetate?
The InChIKey is WHDFVPKPCKNXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-7-12(8-5-2)9-6-10-14-11(3)13/h4-5H,1-2,6-10H2,3H3.
What are the key properties of 3-[bis(prop-2-enyl)amino]propyl acetate?
3-[bis(prop-2-enyl)amino]propyl acetate has a molecular weight of 197.28 g/mol, XLogP of 1.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]propyl acetate is sourced from PubChem (CID 87133425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).