(Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane

C11H22N2 — CID 143667554

IUPAC(Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane
SMILESC/C=C/C(C)(C)/C=N/C=C\N.CC
InChIInChI=1S/C9H16N2.C2H6/c1-4-5-9(2,3)8-11-7-6-10;1-2/h4-8H,10H2,1-3H3;1-2H3/b5-4+,7-6-,11-8+;
InChIKeyIJZXKULISXNTCN-ODCPRRBDSA-N
MW182.31 g/mol
LogP3.12
Rot. Bonds3

About (Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane

(Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane (PubChem CID 143667554) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane.

Molecular Properties

Compound Name(Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane
PubChem CID143667554
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane
SMILESC/C=C/C(C)(C)/C=N/C=C\N.CC
InChIInChI=1S/C9H16N2.C2H6/c1-4-5-9(2,3)8-11-7-6-10;1-2/h4-8H,10H2,1-3H3;1-2H3/b5-4+,7-6-,11-8+;
InChIKeyIJZXKULISXNTCN-ODCPRRBDSA-N
XLogP3.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane?
The IUPAC name of (Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane (CID 143667554) is (Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane.
What is the SMILES notation for (Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane?
The canonical SMILES for (Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane is C/C=C/C(C)(C)/C=N/C=C\N.CC.
What is the InChIKey of (Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane?
The InChIKey is IJZXKULISXNTCN-ODCPRRBDSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-4-5-9(2,3)8-11-7-6-10;1-2/h4-8H,10H2,1-3H3;1-2H3/b5-4+,7-6-,11-8+;.
What are the key properties of (Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane?
(Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane has a molecular weight of 182.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(E)-2,2-dimethylpent-3-enylidene]amino]ethenamine;ethane is sourced from PubChem (CID 143667554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).