CID 59270462

C5H12N2 — CID 59270462

IUPAC—
SMILES[CH]CNCCNC
InChIInChI=1S/C5H12N2/c1-3-7-5-4-6-2/h1,6-7H,3-5H2,2H3
InChIKeyVMOKQZYGTAMVAH-UHFFFAOYSA-N
MW100.16 g/mol
LogP-0.49
Rot. Bonds4

About CID 59270462

CID 59270462 (PubChem CID 59270462) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol.

Molecular Properties

Compound NameCID 59270462
PubChem CID59270462
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name—
SMILES[CH]CNCCNC
InChIInChI=1S/C5H12N2/c1-3-7-5-4-6-2/h1,6-7H,3-5H2,2H3
InChIKeyVMOKQZYGTAMVAH-UHFFFAOYSA-N
XLogP-0.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 5-0.49
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 CID 59270462?
The IUPAC name of CID 59270462 (CID 59270462) is not available.
What is the SMILES notation for CID 59270462?
The canonical SMILES for CID 59270462 is [CH]CNCCNC.
What is the InChIKey of CID 59270462?
The InChIKey is VMOKQZYGTAMVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-7-5-4-6-2/h1,6-7H,3-5H2,2H3.
What are the key properties of CID 59270462?
CID 59270462 has a molecular weight of 100.16 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59270462 is sourced from PubChem (CID 59270462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).