ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene

C28H55N — CID 156751271

IUPACethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene
SMILESC/C=C\N(C)CC.C=C.C=C=C.C=CCCC(CC)CCCCCCCCCC
InChIInChI=1S/C17H34.C6H13N.C3H4.C2H4/c1-4-7-9-10-11-12-13-14-16-17(6-3)15-8-5-2;1-4-6-7(3)5-2;1-3-2;1-2/h5,17H,2,4,6-16H2,1,3H3;4,6H,5H2,1-3H3;1-2H2;1-2H2/b;6-4-;;
InChIKeyFPYKNGDSJSUZOG-YRALKKDLSA-N
MW405.76 g/mol
LogP9.74
Rot. Bonds15

About ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene

ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene (PubChem CID 156751271) has the molecular formula C28H55N and a molecular weight of 405.76 g/mol. Its IUPAC name is ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene.

Molecular Properties

Compound Nameethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene
PubChem CID156751271
Molecular FormulaC28H55N
Molecular Weight405.76 g/mol
Exact Mass405.43
IUPAC Nameethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene
SMILESC/C=C\N(C)CC.C=C.C=C=C.C=CCCC(CC)CCCCCCCCCC
InChIInChI=1S/C17H34.C6H13N.C3H4.C2H4/c1-4-7-9-10-11-12-13-14-16-17(6-3)15-8-5-2;1-4-6-7(3)5-2;1-3-2;1-2/h5,17H,2,4,6-16H2,1,3H3;4,6H,5H2,1-3H3;1-2H2;1-2H2/b;6-4-;;
InChIKeyFPYKNGDSJSUZOG-YRALKKDLSA-N
XLogP9.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.76
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene with MolForge

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Related Compounds

N,N-dimethyloctadec-1-en-1-amine
CID 53401310
N,N-dimethylnonadec-1-en-1-amine
CID 74010646
N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine
CID 170847923
Ethyl-methyl-isooctenyl amine
CID 54102089
Dii-amylnonenylamine
CID 129775763
Diisoamylnonenylamine
CID 129775771
(Z)-9-cyclopropyl-N,N-diethylnon-1-en-1-amine
CID 134894095
N,N-diethyl-3,7-dimethyloct-1-en-1-amine
CID 85722102
N,N-bis(2-methylpropyl)tridec-1-en-1-amine
CID 170848211
(E)-N,N-dimethyloctadec-1-en-1-amine
CID 14389673
N,N,2-triethyldec-9-en-1-amine
CID 17825202
(E)-N,N-dimethylhexadec-1-en-1-amine
CID 17921298

Frequently Asked Questions

What is the IUPAC name of ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene?
The IUPAC name of ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene (CID 156751271) is ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene.
What is the SMILES notation for ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene?
The canonical SMILES for ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene is C/C=C\N(C)CC.C=C.C=C=C.C=CCCC(CC)CCCCCCCCCC.
What is the InChIKey of ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene?
The InChIKey is FPYKNGDSJSUZOG-YRALKKDLSA-N. The full InChI is InChI=1S/C17H34.C6H13N.C3H4.C2H4/c1-4-7-9-10-11-12-13-14-16-17(6-3)15-8-5-2;1-4-6-7(3)5-2;1-3-2;1-2/h5,17H,2,4,6-16H2,1,3H3;4,6H,5H2,1-3H3;1-2H2;1-2H2/b;6-4-;;.
What are the key properties of ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene?
ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene has a molecular weight of 405.76 g/mol, XLogP of 9.74, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene is sourced from PubChem (CID 156751271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).