N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene

C15H30N2 — CID 143050998

IUPACN'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.C=CC(=C)N(C)CCNC.CC
InChIInChI=1S/C8H16N2.C5H8.C2H6/c1-5-8(2)10(4)7-6-9-3;1-3-5-4-2;1-2/h5,9H,1-2,6-7H2,3-4H3;3-5H,1H2,2H3;1-2H3/b;5-4-;
InChIKeyYYMIHXDVHWZXCP-FXHNQCOHSA-N
MW238.42 g/mol
LogP3.61
Rot. Bonds6

About N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene

N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene (PubChem CID 143050998) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene.

Molecular Properties

Compound NameN'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene
PubChem CID143050998
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.C=CC(=C)N(C)CCNC.CC
InChIInChI=1S/C8H16N2.C5H8.C2H6/c1-5-8(2)10(4)7-6-9-3;1-3-5-4-2;1-2/h5,9H,1-2,6-7H2,3-4H3;3-5H,1H2,2H3;1-2H3/b;5-4-;
InChIKeyYYMIHXDVHWZXCP-FXHNQCOHSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846291
2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienal
CID 123169472
N'-[(3E)-3-chlorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 142349508
ethane;penta-1,3-diene;propane
CID 143367111
N'-buta-1,3-dien-2-yl-N'-[2-[buta-1,3-dien-2-yl-[2-(buta-1,3-dien-2-ylamino)ethyl]amino]ethyl]-N-methylethane-1,2-diamine
CID 134546814
(5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine
CID 178081175
(3E)-penta-1,3-diene
CID 71777643
N-ethyl-N-methylbuta-1,3-dien-2-amine
CID 123199652
ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride
CID 172632013
N'-[(2E,4E,6Z,8E,10Z)-7-ethyl-5-methyl-6-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]trideca-2,4,6,8,10,12-hexaen-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 167028364
3-methylidenepent-1-ene;penta-1,3-diene
CID 158839725
(3Z)-N-methyl-N-propylhexa-1,3,5-trien-2-amine
CID 143165077

Frequently Asked Questions

What is the IUPAC name of N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene?
The IUPAC name of N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene (CID 143050998) is N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene.
What is the SMILES notation for N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene?
The canonical SMILES for N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene is C=C/C=C\C.C=CC(=C)N(C)CCNC.CC.
What is the InChIKey of N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene?
The InChIKey is YYMIHXDVHWZXCP-FXHNQCOHSA-N. The full InChI is InChI=1S/C8H16N2.C5H8.C2H6/c1-5-8(2)10(4)7-6-9-3;1-3-5-4-2;1-2/h5,9H,1-2,6-7H2,3-4H3;3-5H,1H2,2H3;1-2H3/b;5-4-;.
What are the key properties of N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene?
N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene has a molecular weight of 238.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-buta-1,3-dien-2-yl-N,N'-dimethylethane-1,2-diamine;ethane;(3Z)-penta-1,3-diene is sourced from PubChem (CID 143050998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).