CID 59945505

C5H12N2 — CID 59945505

IUPAC—
SMILES[CH]NC(C)CNC
InChIInChI=1S/C5H12N2/c1-5(7-3)4-6-2/h3,5-7H,4H2,1-2H3
InChIKeyYKKBZWYFQVYYOG-UHFFFAOYSA-N
MW100.16 g/mol
LogP-0.15
Rot. Bonds3

About CID 59945505

CID 59945505 (PubChem CID 59945505) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol.

Molecular Properties

Compound NameCID 59945505
PubChem CID59945505
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name—
SMILES[CH]NC(C)CNC
InChIInChI=1S/C5H12N2/c1-5(7-3)4-6-2/h3,5-7H,4H2,1-2H3
InChIKeyYKKBZWYFQVYYOG-UHFFFAOYSA-N
XLogP-0.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59945505?
The IUPAC name of CID 59945505 (CID 59945505) is not available.
What is the SMILES notation for CID 59945505?
The canonical SMILES for CID 59945505 is [CH]NC(C)CNC.
What is the InChIKey of CID 59945505?
The InChIKey is YKKBZWYFQVYYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-5(7-3)4-6-2/h3,5-7H,4H2,1-2H3.
What are the key properties of CID 59945505?
CID 59945505 has a molecular weight of 100.16 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59945505 is sourced from PubChem (CID 59945505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).