ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine

C11H24N2 — CID 144528004

IUPACethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(N)\N=C/C.CC.CC
InChIInChI=1S/C7H12N2.2C2H6/c1-4-9-7(8)5-6(2)3;2*1-2/h4-5H,2,8H2,1,3H3;2*1-2H3/b7-5-,9-4-;;
InChIKeyHCWXYJIBMVFITL-LINJETDJSA-N
MW184.33 g/mol
LogP3.51
Rot. Bonds2

About ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine

ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine (PubChem CID 144528004) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine
PubChem CID144528004
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(N)\N=C/C.CC.CC
InChIInChI=1S/C7H12N2.2C2H6/c1-4-9-7(8)5-6(2)3;2*1-2/h4-5H,2,8H2,1,3H3;2*1-2H3/b7-5-,9-4-;;
InChIKeyHCWXYJIBMVFITL-LINJETDJSA-N
XLogP3.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z)-2-ethenyl-4-(ethylideneamino)buta-1,3-dien-1-amine
CID 123299110
N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine
CID 137396789
N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine
CID 138456145
ethane;(1Z)-3-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 141903434
ethane;(1Z)-1-[(Z)-ethylideneamino]buta-1,3-dien-1-amine
CID 141997047
propane;(1Z)-1-[(Z)-prop-2-enylideneamino]buta-1,3-dien-1-amine
CID 142927286
ethane;N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine
CID 143002434
ethane;N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine
CID 143422496
(1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine
CID 143940433
(1Z)-1-[(Z)-ethylideneamino]-N,N,3-trimethylbuta-1,3-dien-1-amine
CID 144075763
(1E,3Z)-2-ethenyl-1-[(Z)-ethylideneamino]hexa-1,3-dien-1-amine
CID 144226713
ethane;2-ethenyl-1-[(Z)-propylideneamino]buta-1,3-dien-1-amine
CID 144672554

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine?
The IUPAC name of ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine (CID 144528004) is ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine.
What is the SMILES notation for ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine?
The canonical SMILES for ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine is C=C(C)/C=C(N)\N=C/C.CC.CC.
What is the InChIKey of ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine?
The InChIKey is HCWXYJIBMVFITL-LINJETDJSA-N. The full InChI is InChI=1S/C7H12N2.2C2H6/c1-4-9-7(8)5-6(2)3;2*1-2/h4-5H,2,8H2,1,3H3;2*1-2H3/b7-5-,9-4-;;.
What are the key properties of ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine?
ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine has a molecular weight of 184.33 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methylbuta-1,3-dien-1-amine is sourced from PubChem (CID 144528004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).