N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine

C12H19NO — CID 89089024

IUPACN-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOC(=C)C=C
InChIInChI=1S/C12H19NO/c1-5-8-13(9-6-2)10-11-14-12(4)7-3/h5-7H,1-4,8-11H2
InChIKeyGDYQNWHCMFDBOC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.38
Rot. Bonds9

About N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine

N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine (PubChem CID 89089024) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine
PubChem CID89089024
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOC(=C)C=C
InChIInChI=1S/C12H19NO/c1-5-8-13(9-6-2)10-11-14-12(4)7-3/h5-7H,1-4,8-11H2
InChIKeyGDYQNWHCMFDBOC-UHFFFAOYSA-N
XLogP2.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate
CID 88985186
3-[bis(prop-2-enyl)amino]propyl acetate
CID 87133425
2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate
CID 140686718
2-[5-buta-1,3-dien-2-yloxypentyl(carboxymethyl)amino]acetic acid
CID 142004831
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 166932546
N'-[2-[2-[2-[2-[bis(prop-2-enyl)amino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl-prop-2-enylamino]ethyl]-N'-prop-2-enylethane-1,2-diamine
CID 88502232
2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
CID 69095633
N'-(2-methoxyethyl)-2-methyl-N'-prop-2-enylpropane-1,3-diamine
CID 103339375
1-buta-1,3-dien-2-yloxydocosane
CID 166669930
N-(2-fluoroethyl)-N-prop-2-enylprop-2-en-1-amine
CID 130701613
1,5-bis[bis(prop-2-enyl)amino]pentan-3-one
CID 174738090

Frequently Asked Questions

What is the IUPAC name of N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine (CID 89089024) is N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCOC(=C)C=C.
What is the InChIKey of N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is GDYQNWHCMFDBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-8-13(9-6-2)10-11-14-12(4)7-3/h5-7H,1-4,8-11H2.
What are the key properties of N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine?
N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-buta-1,3-dien-2-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 89089024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).