N'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine

C6H13N3 — CID 89419768

IUPACN'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine
SMILESC/N=C/C(C)=C\NCN
InChIInChI=1S/C6H13N3/c1-6(3-8-2)4-9-5-7/h3-4,9H,5,7H2,1-2H3/b6-4-,8-3+
InChIKeyVLDCGEZQWDGIMP-MROOEUIUSA-N
MW127.19 g/mol
LogP0.10
Rot. Bonds3

About N'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine

N'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine (PubChem CID 89419768) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine.

Molecular Properties

Compound NameN'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine
PubChem CID89419768
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine
SMILESC/N=C/C(C)=C\NCN
InChIInChI=1S/C6H13N3/c1-6(3-8-2)4-9-5-7/h3-4,9H,5,7H2,1-2H3/b6-4-,8-3+
InChIKeyVLDCGEZQWDGIMP-MROOEUIUSA-N
XLogP0.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine?
The IUPAC name of N'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine (CID 89419768) is N'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine.
What is the SMILES notation for N'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine?
The canonical SMILES for N'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine is C/N=C/C(C)=C\NCN.
What is the InChIKey of N'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine?
The InChIKey is VLDCGEZQWDGIMP-MROOEUIUSA-N. The full InChI is InChI=1S/C6H13N3/c1-6(3-8-2)4-9-5-7/h3-4,9H,5,7H2,1-2H3/b6-4-,8-3+.
What are the key properties of N'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine?
N'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine has a molecular weight of 127.19 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-methyl-3-methyliminoprop-1-enyl]methanediamine is sourced from PubChem (CID 89419768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).