5,5-dinitropentane-1,1,1,5-tetramine

C5H14N6O4 — CID 87840252

IUPAC5,5-dinitropentane-1,1,1,5-tetramine
SMILESNC(N)(N)CCCC(N)([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C5H14N6O4/c6-4(7,8)2-1-3-5(9,10(12)13)11(14)15/h1-3,6-9H2
InChIKeyJUWINZINZHPWJL-UHFFFAOYSA-N
MW222.20 g/mol
LogP-2.15
Rot. Bonds6

About 5,5-dinitropentane-1,1,1,5-tetramine

5,5-dinitropentane-1,1,1,5-tetramine (PubChem CID 87840252) has the molecular formula C5H14N6O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5,5-dinitropentane-1,1,1,5-tetramine.

Molecular Properties

Compound Name5,5-dinitropentane-1,1,1,5-tetramine
PubChem CID87840252
Molecular FormulaC5H14N6O4
Molecular Weight222.20 g/mol
Exact Mass222.11
IUPAC Name5,5-dinitropentane-1,1,1,5-tetramine
SMILESNC(N)(N)CCCC(N)([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C5H14N6O4/c6-4(7,8)2-1-3-5(9,10(12)13)11(14)15/h1-3,6-9H2
InChIKeyJUWINZINZHPWJL-UHFFFAOYSA-N
XLogP-2.15
TPSA190.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dinitropentane-1,1,1,5-tetramine?
The IUPAC name of 5,5-dinitropentane-1,1,1,5-tetramine (CID 87840252) is 5,5-dinitropentane-1,1,1,5-tetramine.
What is the SMILES notation for 5,5-dinitropentane-1,1,1,5-tetramine?
The canonical SMILES for 5,5-dinitropentane-1,1,1,5-tetramine is NC(N)(N)CCCC(N)([N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of 5,5-dinitropentane-1,1,1,5-tetramine?
The InChIKey is JUWINZINZHPWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6O4/c6-4(7,8)2-1-3-5(9,10(12)13)11(14)15/h1-3,6-9H2.
What are the key properties of 5,5-dinitropentane-1,1,1,5-tetramine?
5,5-dinitropentane-1,1,1,5-tetramine has a molecular weight of 222.20 g/mol, XLogP of -2.15, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dinitropentane-1,1,1,5-tetramine is sourced from PubChem (CID 87840252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).