1-N'-ethenyl-1-N'-methylethane-1,1-diamine

C5H11N2- — CID 5249356

IUPAC1-N'-ethenyl-1-N'-methylethane-1,1-diamine
SMILESC=[C-]N(C)C(C)N
InChIInChI=1S/C5H11N2/c1-4-7(3)5(2)6/h5H,1,6H2,2-3H3/q-1
InChIKeyJIZWIBRYTUMIDI-UHFFFAOYSA-N
MW99.16 g/mol
LogP0.17
Rot. Bonds2

About 1-N'-ethenyl-1-N'-methylethane-1,1-diamine

1-N'-ethenyl-1-N'-methylethane-1,1-diamine (PubChem CID 5249356) has the molecular formula C5H11N2- and a molecular weight of 99.16 g/mol. Its IUPAC name is 1-N'-ethenyl-1-N'-methylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethenyl-1-N'-methylethane-1,1-diamine
PubChem CID5249356
Molecular FormulaC5H11N2-
Molecular Weight99.16 g/mol
Exact Mass99.09
IUPAC Name1-N'-ethenyl-1-N'-methylethane-1,1-diamine
SMILESC=[C-]N(C)C(C)N
InChIInChI=1S/C5H11N2/c1-4-7(3)5(2)6/h5H,1,6H2,2-3H3/q-1
InChIKeyJIZWIBRYTUMIDI-UHFFFAOYSA-N
XLogP0.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N-dimethylbut-1-ene-2,3-diamine
CID 123414251
1-N'-ethynyl-1-N'-methylethane-1,1-diamine
CID 173144739
1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride
CID 174987164
1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
CID 173333881
N-(1-aminoethyl)-N-methylethanethioamide
CID 155041594
N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide
CID 129411516
(2S,3R)-3-bromobutan-2-amine
CID 13495075
ethane-1,1-diamine;tetrahydrochloride
CID 142050640
(3R)-butane-2,3-diamine
CID 172719520
copper;bis(ethane-1,1-diamine)
CID 118678530
alumane;ethane-1,1-diamine
CID 174593574
hydron;propan-2-amine
CID 174699722

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethenyl-1-N'-methylethane-1,1-diamine?
The IUPAC name of 1-N'-ethenyl-1-N'-methylethane-1,1-diamine (CID 5249356) is 1-N'-ethenyl-1-N'-methylethane-1,1-diamine.
What is the SMILES notation for 1-N'-ethenyl-1-N'-methylethane-1,1-diamine?
The canonical SMILES for 1-N'-ethenyl-1-N'-methylethane-1,1-diamine is C=[C-]N(C)C(C)N.
What is the InChIKey of 1-N'-ethenyl-1-N'-methylethane-1,1-diamine?
The InChIKey is JIZWIBRYTUMIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2/c1-4-7(3)5(2)6/h5H,1,6H2,2-3H3/q-1.
What are the key properties of 1-N'-ethenyl-1-N'-methylethane-1,1-diamine?
1-N'-ethenyl-1-N'-methylethane-1,1-diamine has a molecular weight of 99.16 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethenyl-1-N'-methylethane-1,1-diamine is sourced from PubChem (CID 5249356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).