ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine

C9H20N2 — CID 171509109

IUPACethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine
SMILESCC.CCC(=C/N)/C(C)=C\N
InChIInChI=1S/C7H14N2.C2H6/c1-3-7(5-9)6(2)4-8;1-2/h4-5H,3,8-9H2,1-2H3;1-2H3/b6-4-,7-5-;
InChIKeyOWLNDMIWJZKXIM-ISOJEIHBSA-N
MW156.27 g/mol
LogP2.13
Rot. Bonds2

About ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine

ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine (PubChem CID 171509109) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Nameethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine
PubChem CID171509109
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine
SMILESCC.CCC(=C/N)/C(C)=C\N
InChIInChI=1S/C7H14N2.C2H6/c1-3-7(5-9)6(2)4-8;1-2/h4-5H,3,8-9H2,1-2H3;1-2H3/b6-4-,7-5-;
InChIKeyOWLNDMIWJZKXIM-ISOJEIHBSA-N
XLogP2.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine
CID 143331601
(1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine
CID 167286267
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
3-amino-N,N-diethyl-2-methylprop-2-enamide
CID 173332557
ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
CID 144632740
(2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide
CID 14329806
(E)-2-methylhex-1-ene-1,6-diamine
CID 122661834
ethanamine;ethane
CID 22406574
ethanamine;ethane
CID 142339743
3-ethylpent-3-en-2-one
CID 54009630
ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol
CID 143085238

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine?
The IUPAC name of ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine (CID 171509109) is ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine.
What is the SMILES notation for ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine?
The canonical SMILES for ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine is CC.CCC(=C/N)/C(C)=C\N.
What is the InChIKey of ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine?
The InChIKey is OWLNDMIWJZKXIM-ISOJEIHBSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-3-7(5-9)6(2)4-8;1-2/h4-5H,3,8-9H2,1-2H3;1-2H3/b6-4-,7-5-;.
What are the key properties of ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine?
ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine has a molecular weight of 156.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,3Z)-2-ethyl-3-methylbuta-1,3-diene-1,4-diamine is sourced from PubChem (CID 171509109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).