(2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane

C8H15N3O2 — CID 21486039

IUPAC(2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane
SMILESCCCN1CCCN/C1=C/[N+](=O)[O-]
InChIInChI=1S/C8H15N3O2/c1-2-5-10-6-3-4-9-8(10)7-11(12)13/h7,9H,2-6H2,1H3/b8-7-
InChIKeyQFBLKTCLXZSWCA-FPLPWBNLSA-N
MW185.23 g/mol
LogP0.77
Rot. Bonds3

About (2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane

(2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane (PubChem CID 21486039) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane.

Molecular Properties

Compound Name(2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane
PubChem CID21486039
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane
SMILESCCCN1CCCN/C1=C/[N+](=O)[O-]
InChIInChI=1S/C8H15N3O2/c1-2-5-10-6-3-4-9-8(10)7-11(12)13/h7,9H,2-6H2,1H3/b8-7-
InChIKeyQFBLKTCLXZSWCA-FPLPWBNLSA-N
XLogP0.77
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine, hexahydro-2-(nitromethylene)-
CID 11789315
5,5-Dimethyl-2-(nitromethylidene)-1,3-diazinane
CID 56945210
(2E)-1-methyl-2-(nitromethylidene)-1,3-diazinane
CID 12377313
1,3-Dimethyl-2-(nitromethylidene)-1,3-diazinane
CID 18340104
(2Z)-1-methoxy-2-(nitromethylidene)-1,3-diazinane
CID 19100838
(2Z)-1-methyl-2-(nitromethylidene)-1,3-diazinane
CID 19100842
(2Z)-2-(nitromethylidene)-1-prop-2-enyl-1,3-diazinane
CID 21486029
(2Z)-1-ethyl-2-(nitromethylidene)-1,3-diazinane
CID 21486034
(2Z)-2-(nitromethylidene)-1-prop-2-ynyl-1,3-diazinane
CID 21486040
(Z)-1-N-butyl-1-N',1-N'-dimethyl-2-nitroethene-1,1-diamine
CID 60093157
Hexahydro-1-methoxy-2-nitromethylenepyrimidine
CID 67796370
1-Methyl-2-(nitromethylidene)hexahydropyrimidine
CID 67797800

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane?
The IUPAC name of (2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane (CID 21486039) is (2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane.
What is the SMILES notation for (2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane?
The canonical SMILES for (2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane is CCCN1CCCN/C1=C/[N+](=O)[O-].
What is the InChIKey of (2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane?
The InChIKey is QFBLKTCLXZSWCA-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-5-10-6-3-4-9-8(10)7-11(12)13/h7,9H,2-6H2,1H3/b8-7-.
What are the key properties of (2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane?
(2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane has a molecular weight of 185.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(nitromethylidene)-1-propyl-1,3-diazinane is sourced from PubChem (CID 21486039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).