ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine

C12H24N2 — CID 142420808

IUPACethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine
SMILESC=C(N)/N=C(/C)C(=C)CCCC.CC
InChIInChI=1S/C10H18N2.C2H6/c1-5-6-7-8(2)9(3)12-10(4)11;1-2/h2,4-7,11H2,1,3H3;1-2H3/b12-9-;
InChIKeyAWXLVUHLSOTXLQ-MWMYENNMSA-N
MW196.34 g/mol
LogP3.65
Rot. Bonds5

About ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine

ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine (PubChem CID 142420808) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine.

Molecular Properties

Compound Nameethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine
PubChem CID142420808
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Nameethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine
SMILESC=C(N)/N=C(/C)C(=C)CCCC.CC
InChIInChI=1S/C10H18N2.C2H6/c1-5-6-7-8(2)9(3)12-10(4)11;1-2/h2,4-7,11H2,1,3H3;1-2H3/b12-9-;
InChIKeyAWXLVUHLSOTXLQ-MWMYENNMSA-N
XLogP3.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N'-hept-1-en-2-ylethanimidamide
CID 145472363
(Z)-3-methyl-4-methylideneoct-2-ene
CID 121232770
ethane;2-methylidenehexanoic acid
CID 162072915
2-methylhex-1-ene
CID 158402499
ethane;hept-1-en-2-amine
CID 143133065
3,4-dimethylideneoctan-2-one
CID 143941758
3-methylidenenonan-2-one
CID 3017847
2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
2-methylidenehexanoic acid;zinc
CID 174824467
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355
ethane;2-methylhept-1-ene
CID 143682307

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine?
The IUPAC name of ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine (CID 142420808) is ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine.
What is the SMILES notation for ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine?
The canonical SMILES for ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine is C=C(N)/N=C(/C)C(=C)CCCC.CC.
What is the InChIKey of ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine?
The InChIKey is AWXLVUHLSOTXLQ-MWMYENNMSA-N. The full InChI is InChI=1S/C10H18N2.C2H6/c1-5-6-7-8(2)9(3)12-10(4)11;1-2/h2,4-7,11H2,1,3H3;1-2H3/b12-9-;.
What are the key properties of ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine?
ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine has a molecular weight of 196.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine is sourced from PubChem (CID 142420808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).