3-(1,4,7-triazonan-1-yl)propan-1-amine

C9H22N4 — CID 10997758

IUPAC3-(1,4,7-triazonan-1-yl)propan-1-amine
SMILESNCCCN1CCNCCNCC1
InChIInChI=1S/C9H22N4/c10-2-1-7-13-8-5-11-3-4-12-6-9-13/h11-12H,1-10H2
InChIKeyXIFWQAAKPXCRIX-UHFFFAOYSA-N
MW186.30 g/mol
LogP-1.17
Rot. Bonds3

About 3-(1,4,7-triazonan-1-yl)propan-1-amine

3-(1,4,7-triazonan-1-yl)propan-1-amine (PubChem CID 10997758) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-(1,4,7-triazonan-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,4,7-triazonan-1-yl)propan-1-amine
PubChem CID10997758
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name3-(1,4,7-triazonan-1-yl)propan-1-amine
SMILESNCCCN1CCNCCNCC1
InChIInChI=1S/C9H22N4/c10-2-1-7-13-8-5-11-3-4-12-6-9-13/h11-12H,1-10H2
InChIKeyXIFWQAAKPXCRIX-UHFFFAOYSA-N
XLogP-1.17
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4,7-triazonan-1-yl)propan-1-amine?
The IUPAC name of 3-(1,4,7-triazonan-1-yl)propan-1-amine (CID 10997758) is 3-(1,4,7-triazonan-1-yl)propan-1-amine.
What is the SMILES notation for 3-(1,4,7-triazonan-1-yl)propan-1-amine?
The canonical SMILES for 3-(1,4,7-triazonan-1-yl)propan-1-amine is NCCCN1CCNCCNCC1.
What is the InChIKey of 3-(1,4,7-triazonan-1-yl)propan-1-amine?
The InChIKey is XIFWQAAKPXCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c10-2-1-7-13-8-5-11-3-4-12-6-9-13/h11-12H,1-10H2.
What are the key properties of 3-(1,4,7-triazonan-1-yl)propan-1-amine?
3-(1,4,7-triazonan-1-yl)propan-1-amine has a molecular weight of 186.30 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,7-triazonan-1-yl)propan-1-amine is sourced from PubChem (CID 10997758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).