ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen

C12H28N2 — CID 156797046

IUPACethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen
SMILESC/C=N/C=C(\C)C(C)CCNC.CC.[H][H]
InChIInChI=1S/C10H20N2.C2H6.H2/c1-5-12-8-10(3)9(2)6-7-11-4;1-2;/h5,8-9,11H,6-7H2,1-4H3;1-2H3;1H/b10-8+,12-5+;;
InChIKeyZNMWIRDEHOMINZ-HTGHOWHISA-N
MW200.37 g/mol
LogP3.50
Rot. Bonds5

About ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen

ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen (PubChem CID 156797046) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen
PubChem CID156797046
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Nameethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen
SMILESC/C=N/C=C(\C)C(C)CCNC.CC.[H][H]
InChIInChI=1S/C10H20N2.C2H6.H2/c1-5-12-8-10(3)9(2)6-7-11-4;1-2;/h5,8-9,11H,6-7H2,1-4H3;1-2H3;1H/b10-8+,12-5+;;
InChIKeyZNMWIRDEHOMINZ-HTGHOWHISA-N
XLogP3.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.50
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

[(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium
CID 154723610
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CID 58455185
2-(3,4-dihydropyridin-4-yl)-N-ethylethanamine
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N-methyl-1-(3-methyl-4,5-dihydro-3H-azepin-6-yl)methanamine
CID 89812694
6-(3-Methylbutyl)-1,2-dihydropyrazine
CID 121383169
5,6-dimethyl-7-(methylideneamino)-N-propylhept-6-en-1-amine
CID 123313909
N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide
CID 123440987
2-(3,4-dihydropyridin-5-yl)-N-methylethanamine;3-methylbuta-1,2-diene;molecular hydrogen;hydrobromide
CID 143587088
N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane
CID 145198414
(Z)-1-(ethylideneamino)-N,3,4-trimethylhex-1-en-2-amine
CID 156370249
N-ethenyl-5-(methyliminomethyl)oct-7-en-1-amine
CID 156415922
N-methyl-2-(1,2,3,4-tetrahydropyridin-4-yl)ethanimine
CID 164005952

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen?
The IUPAC name of ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen (CID 156797046) is ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen.
What is the SMILES notation for ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen?
The canonical SMILES for ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen is C/C=N/C=C(\C)C(C)CCNC.CC.[H][H].
What is the InChIKey of ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen?
The InChIKey is ZNMWIRDEHOMINZ-HTGHOWHISA-N. The full InChI is InChI=1S/C10H20N2.C2H6.H2/c1-5-12-8-10(3)9(2)6-7-11-4;1-2;/h5,8-9,11H,6-7H2,1-4H3;1-2H3;1H/b10-8+,12-5+;;.
What are the key properties of ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen?
ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen has a molecular weight of 200.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen is sourced from PubChem (CID 156797046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).