1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine

C6H12N2 — CID 176527609

IUPAC1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine
SMILESC=C=C(NC)NCC
InChIInChI=1S/C6H12N2/c1-4-6(7-3)8-5-2/h7-8H,1,5H2,2-3H3
InChIKeyPBWGZYPICGDRCF-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.44
Rot. Bonds3

About 1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine

1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine (PubChem CID 176527609) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine
PubChem CID176527609
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine
SMILESC=C=C(NC)NCC
InChIInChI=1S/C6H12N2/c1-4-6(7-3)8-5-2/h7-8H,1,5H2,2-3H3
InChIKeyPBWGZYPICGDRCF-UHFFFAOYSA-N
XLogP0.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 158978281
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N-ethylbutanamide;methanimine
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N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
CID 91512805
2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide
CID 174021445
3-methoxypenta-1,2-diene
CID 71350747
ethene;ethylcarbamodithioic acid
CID 173340647
2-(ethylcarbamoylamino)-N-methylacetamide
CID 115575880
N,N'-diethylpropanediamide
CID 4600245
1,3-diethylurea;ethane
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1-N,1-N'-diethylprop-1-ene-1,1-diamine
CID 87221910

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine?
The IUPAC name of 1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine (CID 176527609) is 1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine is C=C=C(NC)NCC.
What is the InChIKey of 1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine?
The InChIKey is PBWGZYPICGDRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-6(7-3)8-5-2/h7-8H,1,5H2,2-3H3.
What are the key properties of 1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine?
1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine is sourced from PubChem (CID 176527609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).