diazinan-4-ylmethanamine

C5H13N3 — CID 91317227

IUPACdiazinan-4-ylmethanamine
SMILESNCC1CCNNC1
InChIInChI=1S/C5H13N3/c6-3-5-1-2-7-8-4-5/h5,7-8H,1-4,6H2
InChIKeyGUTBQEHDVHCKEY-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.94
Rot. Bonds1

About diazinan-4-ylmethanamine

diazinan-4-ylmethanamine (PubChem CID 91317227) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is diazinan-4-ylmethanamine.

Molecular Properties

Compound Namediazinan-4-ylmethanamine
PubChem CID91317227
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Namediazinan-4-ylmethanamine
SMILESNCC1CCNNC1
InChIInChI=1S/C5H13N3/c6-3-5-1-2-7-8-4-5/h5,7-8H,1-4,6H2
InChIKeyGUTBQEHDVHCKEY-UHFFFAOYSA-N
XLogP-0.94
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diazinan-4-ylmethanamine?
The IUPAC name of diazinan-4-ylmethanamine (CID 91317227) is diazinan-4-ylmethanamine.
What is the SMILES notation for diazinan-4-ylmethanamine?
The canonical SMILES for diazinan-4-ylmethanamine is NCC1CCNNC1.
What is the InChIKey of diazinan-4-ylmethanamine?
The InChIKey is GUTBQEHDVHCKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c6-3-5-1-2-7-8-4-5/h5,7-8H,1-4,6H2.
What are the key properties of diazinan-4-ylmethanamine?
diazinan-4-ylmethanamine has a molecular weight of 115.18 g/mol, XLogP of -0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazinan-4-ylmethanamine is sourced from PubChem (CID 91317227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).