2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine

C7H15N5O2 — CID 57415329

IUPAC2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine
SMILESCC/C=N/N(CCC)/C(N)=N/[N+](=O)[O-]
InChIInChI=1S/C7H15N5O2/c1-3-5-9-11(6-4-2)7(8)10-12(13)14/h5H,3-4,6H2,1-2H3,(H2,8,10)/b9-5+
InChIKeyYYWRFNSYHAAFEO-WEVVVXLNSA-N
MW201.23 g/mol
LogP0.60
Rot. Bonds5

About 2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine

2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine (PubChem CID 57415329) has the molecular formula C7H15N5O2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine.

Molecular Properties

Compound Name2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine
PubChem CID57415329
Molecular FormulaC7H15N5O2
Molecular Weight201.23 g/mol
Exact Mass201.12
IUPAC Name2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine
SMILESCC/C=N/N(CCC)/C(N)=N/[N+](=O)[O-]
InChIInChI=1S/C7H15N5O2/c1-3-5-9-11(6-4-2)7(8)10-12(13)14/h5H,3-4,6H2,1-2H3,(H2,8,10)/b9-5+
InChIKeyYYWRFNSYHAAFEO-WEVVVXLNSA-N
XLogP0.60
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-nitro-1-nitrosoguanidine
CID 20238
1-(hydroxyamino)-1-methyl-2-nitroguanidine
CID 135545577
1-(2-bromoethyl)-1-(hydroxyamino)-2-nitroguanidine
CID 135467398
N-propylidenenitramide
CID 173232396
ethyl N,N-dimethyl-N'-nitrocarbamimidate
CID 87633154
N'-nitroethanimidamide
CID 90887679
N-nitro-1-propoxymethanimidic acid
CID 175684402
1-butyl-2-nitroguanidine
CID 135996675
2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine
CID 5487022
N-amino-N-[(Z)-propylideneamino]methanamine
CID 146181001
N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide
CID 173360206
methyl N-methyl-N-methylsulfonyl-N'-nitrocarbamimidothioate
CID 19786851

Frequently Asked Questions

What is the IUPAC name of 2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine?
The IUPAC name of 2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine (CID 57415329) is 2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine.
What is the SMILES notation for 2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine?
The canonical SMILES for 2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine is CC/C=N/N(CCC)/C(N)=N/[N+](=O)[O-].
What is the InChIKey of 2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine?
The InChIKey is YYWRFNSYHAAFEO-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H15N5O2/c1-3-5-9-11(6-4-2)7(8)10-12(13)14/h5H,3-4,6H2,1-2H3,(H2,8,10)/b9-5+.
What are the key properties of 2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine?
2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine has a molecular weight of 201.23 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine is sourced from PubChem (CID 57415329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).