2,2-dinitrosopentane-1,1,1,5-tetramine

C5H14N6O2 — CID 22476671

IUPAC2,2-dinitrosopentane-1,1,1,5-tetramine
SMILESNCCCC(N=O)(N=O)C(N)(N)N
InChIInChI=1S/C5H14N6O2/c6-3-1-2-4(10-12,11-13)5(7,8)9/h1-3,6-9H2
InChIKeySSHIUEZFUIAEDD-UHFFFAOYSA-N
MW190.21 g/mol
LogP-1.52
Rot. Bonds6

About 2,2-dinitrosopentane-1,1,1,5-tetramine

2,2-dinitrosopentane-1,1,1,5-tetramine (PubChem CID 22476671) has the molecular formula C5H14N6O2 and a molecular weight of 190.21 g/mol. Its IUPAC name is 2,2-dinitrosopentane-1,1,1,5-tetramine.

Molecular Properties

Compound Name2,2-dinitrosopentane-1,1,1,5-tetramine
PubChem CID22476671
Molecular FormulaC5H14N6O2
Molecular Weight190.21 g/mol
Exact Mass190.12
IUPAC Name2,2-dinitrosopentane-1,1,1,5-tetramine
SMILESNCCCC(N=O)(N=O)C(N)(N)N
InChIInChI=1S/C5H14N6O2/c6-3-1-2-4(10-12,11-13)5(7,8)9/h1-3,6-9H2
InChIKeySSHIUEZFUIAEDD-UHFFFAOYSA-N
XLogP-1.52
TPSA162.94 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dinitrosopentane-1,1,1,5-tetramine?
The IUPAC name of 2,2-dinitrosopentane-1,1,1,5-tetramine (CID 22476671) is 2,2-dinitrosopentane-1,1,1,5-tetramine.
What is the SMILES notation for 2,2-dinitrosopentane-1,1,1,5-tetramine?
The canonical SMILES for 2,2-dinitrosopentane-1,1,1,5-tetramine is NCCCC(N=O)(N=O)C(N)(N)N.
What is the InChIKey of 2,2-dinitrosopentane-1,1,1,5-tetramine?
The InChIKey is SSHIUEZFUIAEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6O2/c6-3-1-2-4(10-12,11-13)5(7,8)9/h1-3,6-9H2.
What are the key properties of 2,2-dinitrosopentane-1,1,1,5-tetramine?
2,2-dinitrosopentane-1,1,1,5-tetramine has a molecular weight of 190.21 g/mol, XLogP of -1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dinitrosopentane-1,1,1,5-tetramine is sourced from PubChem (CID 22476671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).