ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen

C15H31NO — CID 142079041

IUPACethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen
SMILESC=C.C=C(/C=C\C)COCC(CC)NCCC.[H][H]
InChIInChI=1S/C13H25NO.C2H4.H2/c1-5-8-12(4)10-15-11-13(7-3)14-9-6-2;1-2;/h5,8,13-14H,4,6-7,9-11H2,1-3H3;1-2H2;1H/b8-5-;;
InChIKeyASQWLOFFCIIUHM-XTKZWJJBSA-N
MW241.42 g/mol
LogP3.96
Rot. Bonds9

About ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen

ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen (PubChem CID 142079041) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen.

Molecular Properties

Compound Nameethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen
PubChem CID142079041
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen
SMILESC=C.C=C(/C=C\C)COCC(CC)NCCC.[H][H]
InChIInChI=1S/C13H25NO.C2H4.H2/c1-5-8-12(4)10-15-11-13(7-3)14-9-6-2;1-2;/h5,8,13-14H,4,6-7,9-11H2,1-3H3;1-2H2;1H/b8-5-;;
InChIKeyASQWLOFFCIIUHM-XTKZWJJBSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,3Z)-2-ethylidene-N-[(2R)-1-methoxypropan-2-yl]-5-methylhexa-3,5-dien-1-amine
CID 88268271
(2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine
CID 129015398
(Z,2R)-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224611
(2S,5S)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-methylmorpholine
CID 135130030
(3E,5Z)-N-(2-ethoxyethyl)-3-methylhepta-3,5-dien-2-amine
CID 138703319
ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine
CID 142183657
2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine
CID 142607570
2-[(Z)-2,5-dimethylidenehept-3-enoxy]-N-ethylethanamine
CID 142832245
1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine
CID 143097683
(Z,3E)-N-ethyl-3-ethylidene-2-methoxyhept-4-en-1-amine
CID 143489420
(2S,3E)-3-ethenyl-N-ethyl-2-methoxyhexa-3,5-dien-1-amine
CID 143659400
ethane;(2S,5S)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-methylmorpholine
CID 144284166

Frequently Asked Questions

What is the IUPAC name of ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen?
The IUPAC name of ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen (CID 142079041) is ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen.
What is the SMILES notation for ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen?
The canonical SMILES for ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen is C=C.C=C(/C=C\C)COCC(CC)NCCC.[H][H].
What is the InChIKey of ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen?
The InChIKey is ASQWLOFFCIIUHM-XTKZWJJBSA-N. The full InChI is InChI=1S/C13H25NO.C2H4.H2/c1-5-8-12(4)10-15-11-13(7-3)14-9-6-2;1-2;/h5,8,13-14H,4,6-7,9-11H2,1-3H3;1-2H2;1H/b8-5-;;.
What are the key properties of ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen?
ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen has a molecular weight of 241.42 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen is sourced from PubChem (CID 142079041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).