2-(1,4-diazonan-1-yl)ethanamine

C9H21N3 — CID 157482761

IUPAC2-(1,4-diazonan-1-yl)ethanamine
SMILESNCCN1CCCCCNCC1
InChIInChI=1S/C9H21N3/c10-4-8-12-7-3-1-2-5-11-6-9-12/h11H,1-10H2
InChIKeyBWISHMHDAPVJBI-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.02
Rot. Bonds2

About 2-(1,4-diazonan-1-yl)ethanamine

2-(1,4-diazonan-1-yl)ethanamine (PubChem CID 157482761) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-(1,4-diazonan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1,4-diazonan-1-yl)ethanamine
PubChem CID157482761
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-(1,4-diazonan-1-yl)ethanamine
SMILESNCCN1CCCCCNCC1
InChIInChI=1S/C9H21N3/c10-4-8-12-7-3-1-2-5-11-6-9-12/h11H,1-10H2
InChIKeyBWISHMHDAPVJBI-UHFFFAOYSA-N
XLogP0.02
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazonan-1-yl)ethanamine?
The IUPAC name of 2-(1,4-diazonan-1-yl)ethanamine (CID 157482761) is 2-(1,4-diazonan-1-yl)ethanamine.
What is the SMILES notation for 2-(1,4-diazonan-1-yl)ethanamine?
The canonical SMILES for 2-(1,4-diazonan-1-yl)ethanamine is NCCN1CCCCCNCC1.
What is the InChIKey of 2-(1,4-diazonan-1-yl)ethanamine?
The InChIKey is BWISHMHDAPVJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c10-4-8-12-7-3-1-2-5-11-6-9-12/h11H,1-10H2.
What are the key properties of 2-(1,4-diazonan-1-yl)ethanamine?
2-(1,4-diazonan-1-yl)ethanamine has a molecular weight of 171.29 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazonan-1-yl)ethanamine is sourced from PubChem (CID 157482761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).