ethane-1,2-diamine;formamide

C3H11N3O — CID 19935247

IUPACethane-1,2-diamine;formamide
SMILESNC=O.NCCN
InChIInChI=1S/C2H8N2.CH3NO/c3-1-2-4;2-1-3/h1-4H2;1H,(H2,2,3)
InChIKeyFMBZFVBGYDHOIL-UHFFFAOYSA-N
MW105.14 g/mol
LogP-1.99
Rot. Bonds1

About ethane-1,2-diamine;formamide

ethane-1,2-diamine;formamide (PubChem CID 19935247) has the molecular formula C3H11N3O and a molecular weight of 105.14 g/mol. Its IUPAC name is ethane-1,2-diamine;formamide.

Molecular Properties

Compound Nameethane-1,2-diamine;formamide
PubChem CID19935247
Molecular FormulaC3H11N3O
Molecular Weight105.14 g/mol
Exact Mass105.09
IUPAC Nameethane-1,2-diamine;formamide
SMILESNC=O.NCCN
InChIInChI=1S/C2H8N2.CH3NO/c3-1-2-4;2-1-3/h1-4H2;1H,(H2,2,3)
InChIKeyFMBZFVBGYDHOIL-UHFFFAOYSA-N
XLogP-1.99
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;formamide?
The IUPAC name of ethane-1,2-diamine;formamide (CID 19935247) is ethane-1,2-diamine;formamide.
What is the SMILES notation for ethane-1,2-diamine;formamide?
The canonical SMILES for ethane-1,2-diamine;formamide is NC=O.NCCN.
What is the InChIKey of ethane-1,2-diamine;formamide?
The InChIKey is FMBZFVBGYDHOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.CH3NO/c3-1-2-4;2-1-3/h1-4H2;1H,(H2,2,3).
What are the key properties of ethane-1,2-diamine;formamide?
ethane-1,2-diamine;formamide has a molecular weight of 105.14 g/mol, XLogP of -1.99, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;formamide is sourced from PubChem (CID 19935247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).