ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine

C12H24N2 — CID 142520948

IUPACethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(\N=C/C)NC(C)C.CC
InChIInChI=1S/C10H18N2.C2H6/c1-6-11-10(7-8(2)3)12-9(4)5;1-2/h6-7,9,12H,2H2,1,3-5H3;1-2H3/b10-7+,11-6-;
InChIKeyHLIFFKKYLMGLQE-TTXYLJNJSA-N
MW196.34 g/mol
LogP3.52
Rot. Bonds4

About ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine

ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine (PubChem CID 142520948) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
PubChem CID142520948
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Nameethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(\N=C/C)NC(C)C.CC
InChIInChI=1S/C10H18N2.C2H6/c1-6-11-10(7-8(2)3)12-9(4)5;1-2/h6-7,9,12H,2H2,1,3-5H3;1-2H3/b10-7+,11-6-;
InChIKeyHLIFFKKYLMGLQE-TTXYLJNJSA-N
XLogP3.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.52
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

ethane;N-prop-1-en-2-ylpropan-2-amine
CID 143917378
ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine
CID 143978503
(2Z)-2-(ethylideneamino)-4-methylpenta-2,4-dien-1-amine
CID 142082963
(1Z)-N,3-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 143723048
(3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine
CID 143487310
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
CID 130348009
(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
CID 126549325
3-methyl-N-propan-2-ylbut-3-enamide
CID 59532905
(3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine
CID 143366519
N-[1-[[(E)-ethylidenecarbamoyl]amino]ethyl]-4-methyl-3-oxopent-4-enamide
CID 141248890
(3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine
CID 155208602

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine?
The IUPAC name of ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine (CID 142520948) is ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine?
The canonical SMILES for ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine is C=C(C)/C=C(\N=C/C)NC(C)C.CC.
What is the InChIKey of ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine?
The InChIKey is HLIFFKKYLMGLQE-TTXYLJNJSA-N. The full InChI is InChI=1S/C10H18N2.C2H6/c1-6-11-10(7-8(2)3)12-9(4)5;1-2/h6-7,9,12H,2H2,1,3-5H3;1-2H3/b10-7+,11-6-;.
What are the key properties of ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine?
ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine has a molecular weight of 196.34 g/mol, XLogP of 3.52, 4 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-methyl-N-propan-2-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 142520948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).