2,2-dinitropentane-1,1,1,5-tetramine

C5H14N6O4 — CID 22665336

IUPAC2,2-dinitropentane-1,1,1,5-tetramine
SMILESNCCCC([N+](=O)[O-])([N+](=O)[O-])C(N)(N)N
InChIInChI=1S/C5H14N6O4/c6-3-1-2-4(10(12)13,11(14)15)5(7,8)9/h1-3,6-9H2
InChIKeyFCGJLLRNFPRWKL-UHFFFAOYSA-N
MW222.20 g/mol
LogP-2.50
Rot. Bonds6

About 2,2-dinitropentane-1,1,1,5-tetramine

2,2-dinitropentane-1,1,1,5-tetramine (PubChem CID 22665336) has the molecular formula C5H14N6O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2,2-dinitropentane-1,1,1,5-tetramine.

Molecular Properties

Compound Name2,2-dinitropentane-1,1,1,5-tetramine
PubChem CID22665336
Molecular FormulaC5H14N6O4
Molecular Weight222.20 g/mol
Exact Mass222.11
IUPAC Name2,2-dinitropentane-1,1,1,5-tetramine
SMILESNCCCC([N+](=O)[O-])([N+](=O)[O-])C(N)(N)N
InChIInChI=1S/C5H14N6O4/c6-3-1-2-4(10(12)13,11(14)15)5(7,8)9/h1-3,6-9H2
InChIKeyFCGJLLRNFPRWKL-UHFFFAOYSA-N
XLogP-2.50
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 ≤ 5-2.50
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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Related Compounds

Butylamine, 4,4-dinitro-
CID 151719818
1-Amino-5-nitro-pentane
CID 18987841
2-Amino-1,1-dinitropentane
CID 129808794
CID 412149
CID 412149
2,2-Dinitrosopentane-1,1,1,5-tetramine
CID 22476671
1,2-Dinitrosopentane-1,1,5-triamine
CID 23082438
3,5-Dinitropentane-1,1,1,2-tetramine
CID 23132544
1,1-Dinitropentane-1,5-diamine
CID 53934424
1,1-Dinitrosopentane-1,2,2,5-tetramine
CID 54235724
2-Nitropentan-1-amine
CID 55288886
2,3-Dinitropentane-1,1,1,2-tetramine
CID 87840251
5,5-Dinitropentane-1,1,1,5-tetramine
CID 87840252

Frequently Asked Questions

What is the IUPAC name of 2,2-dinitropentane-1,1,1,5-tetramine?
The IUPAC name of 2,2-dinitropentane-1,1,1,5-tetramine (CID 22665336) is 2,2-dinitropentane-1,1,1,5-tetramine.
What is the SMILES notation for 2,2-dinitropentane-1,1,1,5-tetramine?
The canonical SMILES for 2,2-dinitropentane-1,1,1,5-tetramine is NCCCC([N+](=O)[O-])([N+](=O)[O-])C(N)(N)N.
What is the InChIKey of 2,2-dinitropentane-1,1,1,5-tetramine?
The InChIKey is FCGJLLRNFPRWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6O4/c6-3-1-2-4(10(12)13,11(14)15)5(7,8)9/h1-3,6-9H2.
What are the key properties of 2,2-dinitropentane-1,1,1,5-tetramine?
2,2-dinitropentane-1,1,1,5-tetramine has a molecular weight of 222.20 g/mol, XLogP of -2.50, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dinitropentane-1,1,1,5-tetramine is sourced from PubChem (CID 22665336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).