N'-methyl-N-protioethane-1,2-diamine

C3H10N2 — CID 58567083

IUPACN'-methyl-N-protioethane-1,2-diamine
SMILES[1H]NCCNC
InChIInChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3/i/hH
InChIKeyKFIGICHILYTCJF-FTGQXOHASA-N
MW74.13 g/mol
LogP-0.84
Rot. Bonds3

About N'-methyl-N-protioethane-1,2-diamine

N'-methyl-N-protioethane-1,2-diamine (PubChem CID 58567083) has the molecular formula C3H10N2 and a molecular weight of 74.13 g/mol. Its IUPAC name is N'-methyl-N-protioethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-protioethane-1,2-diamine
PubChem CID58567083
Molecular FormulaC3H10N2
Molecular Weight74.13 g/mol
Exact Mass74.08
IUPAC NameN'-methyl-N-protioethane-1,2-diamine
SMILES[1H]NCCNC
InChIInChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3/i/hH
InChIKeyKFIGICHILYTCJF-FTGQXOHASA-N
XLogP-0.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.13
LogP ≤ 5-0.84
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-protioethane-1,2-diamine?
The IUPAC name of N'-methyl-N-protioethane-1,2-diamine (CID 58567083) is N'-methyl-N-protioethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-protioethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-protioethane-1,2-diamine is [1H]NCCNC.
What is the InChIKey of N'-methyl-N-protioethane-1,2-diamine?
The InChIKey is KFIGICHILYTCJF-FTGQXOHASA-N. The full InChI is InChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3/i/hH.
What are the key properties of N'-methyl-N-protioethane-1,2-diamine?
N'-methyl-N-protioethane-1,2-diamine has a molecular weight of 74.13 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-protioethane-1,2-diamine is sourced from PubChem (CID 58567083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).