CID 59873760

C5H11N3 — CID 59873760

IUPAC—
SMILESCN1CCN([N])CC1
InChIInChI=1S/C5H11N3/c1-7-2-4-8(6)5-3-7/h2-5H2,1H3
InChIKeyKEBIYIRCOPOHTH-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.78
Rot. Bonds

About CID 59873760

CID 59873760 (PubChem CID 59873760) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol.

Molecular Properties

Compound NameCID 59873760
PubChem CID59873760
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name—
SMILESCN1CCN([N])CC1
InChIInChI=1S/C5H11N3/c1-7-2-4-8(6)5-3-7/h2-5H2,1H3
InChIKeyKEBIYIRCOPOHTH-UHFFFAOYSA-N
XLogP-0.78
TPSA28.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59873760?
The IUPAC name of CID 59873760 (CID 59873760) is not available.
What is the SMILES notation for CID 59873760?
The canonical SMILES for CID 59873760 is CN1CCN([N])CC1.
What is the InChIKey of CID 59873760?
The InChIKey is KEBIYIRCOPOHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-7-2-4-8(6)5-3-7/h2-5H2,1H3.
What are the key properties of CID 59873760?
CID 59873760 has a molecular weight of 113.16 g/mol, XLogP of -0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59873760 is sourced from PubChem (CID 59873760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).