ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine

C13H27N3 — CID 143958189

IUPACethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
SMILESC=C(C)/C=N\C(=C)N(C)CCN(C)C.CC
InChIInChI=1S/C11H21N3.C2H6/c1-10(2)9-12-11(3)14(6)8-7-13(4)5;1-2/h9H,1,3,7-8H2,2,4-6H3;1-2H3/b12-9-;
InChIKeyMMDACLZHNQFLQK-MWMYENNMSA-N
MW225.38 g/mol
LogP2.62
Rot. Bonds6

About ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine

ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine (PubChem CID 143958189) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
PubChem CID143958189
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Nameethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
SMILESC=C(C)/C=N\C(=C)N(C)CCN(C)C.CC
InChIInChI=1S/C11H21N3.C2H6/c1-10(2)9-12-11(3)14(6)8-7-13(4)5;1-2/h9H,1,3,7-8H2,2,4-6H3;1-2H3/b12-9-;
InChIKeyMMDACLZHNQFLQK-MWMYENNMSA-N
XLogP2.62
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine with MolForge

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Related Compounds

N'-[1-[(Z)-2-chloroprop-2-enylideneamino]ethenyl]-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 156729528
N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide
CID 143834995
2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
(3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine
CID 155721831
N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine
CID 142886831
N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142129032
N-methyl-N-(2-methylprop-2-enylideneamino)ethanamine
CID 123532082
tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate
CID 123584320
buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine
CID 160608362
N'-[1-[ethyl(methyl)amino]ethenyl]-N-methylidenemethanimidamide
CID 143488080
(1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine
CID 134406427

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
The IUPAC name of ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine (CID 143958189) is ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine.
What is the SMILES notation for ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
The canonical SMILES for ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine is C=C(C)/C=N\C(=C)N(C)CCN(C)C.CC.
What is the InChIKey of ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
The InChIKey is MMDACLZHNQFLQK-MWMYENNMSA-N. The full InChI is InChI=1S/C11H21N3.C2H6/c1-10(2)9-12-11(3)14(6)8-7-13(4)5;1-2/h9H,1,3,7-8H2,2,4-6H3;1-2H3/b12-9-;.
What are the key properties of ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine has a molecular weight of 225.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine is sourced from PubChem (CID 143958189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).