N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine

C6H14N2 — CID 121451302

IUPACN-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
SMILESC/C=C/NCCNC
InChIInChI=1S/C6H14N2/c1-3-4-8-6-5-7-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKeyAMHGMYPUOZYKDR-ONEGZZNKSA-N
MW114.19 g/mol
LogP0.33
Rot. Bonds4

About N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine

N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine (PubChem CID 121451302) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
PubChem CID121451302
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
SMILESC/C=C/NCCNC
InChIInChI=1S/C6H14N2/c1-3-4-8-6-5-7-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKeyAMHGMYPUOZYKDR-ONEGZZNKSA-N
XLogP0.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine (CID 121451302) is N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine is C/C=C/NCCNC.
What is the InChIKey of N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine?
The InChIKey is AMHGMYPUOZYKDR-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-4-8-6-5-7-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+.
What are the key properties of N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine?
N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine is sourced from PubChem (CID 121451302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).