(E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine

C4H12N4 — CID 155247228

IUPAC(E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine
SMILESCN/C(N)=C/N(C)N
InChIInChI=1S/C4H12N4/c1-7-4(5)3-8(2)6/h3,7H,5-6H2,1-2H3/b4-3+
InChIKeyMHIBNXVTTKCUNX-ONEGZZNKSA-N
MW116.17 g/mol
LogP-1.23
Rot. Bonds2

About (E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine

(E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine (PubChem CID 155247228) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is (E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine.

Molecular Properties

Compound Name(E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine
PubChem CID155247228
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Name(E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine
SMILESCN/C(N)=C/N(C)N
InChIInChI=1S/C4H12N4/c1-7-4(5)3-8(2)6/h3,7H,5-6H2,1-2H3/b4-3+
InChIKeyMHIBNXVTTKCUNX-ONEGZZNKSA-N
XLogP-1.23
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate
CID 167474146
(Z)-3-[amino(methyl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
CID 131994289
(Z)-1-N,1-N-dimethylprop-1-ene-1,2-diamine
CID 88777001
(Z)-1-[amino(methyl)amino]-3-chlorobut-1-en-2-amine
CID 170098899
[(1Z)-1-[amino(methyl)amino]buta-1,3-dien-2-yl]boronic acid
CID 174100005
azane;N,N-dimethylmethanamine;methanamine;methanol;N-methylmethanamine
CID 158599211
[(E)-2-(dimethylamino)ethenyl]thiourea
CID 156593609
N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine
CID 90369842
1-[amino(methyl)amino]-N-methylethenamine
CID 143995002
1-methyl-1-[(E)-2,3,4-trimethylpent-1-enyl]hydrazine
CID 155276567
azane;N,N-dimethylmethanamine;methanamine;N-methylmethanamine
CID 174795186
thiourea;1,1,3-trimethylthiourea
CID 159738783

Frequently Asked Questions

What is the IUPAC name of (E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine?
The IUPAC name of (E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine (CID 155247228) is (E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine.
What is the SMILES notation for (E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine?
The canonical SMILES for (E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine is CN/C(N)=C/N(C)N.
What is the InChIKey of (E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine?
The InChIKey is MHIBNXVTTKCUNX-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H12N4/c1-7-4(5)3-8(2)6/h3,7H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine?
(E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine has a molecular weight of 116.17 g/mol, XLogP of -1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine is sourced from PubChem (CID 155247228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).