nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine

C17H21N5O4 — CID 45049782

IUPACnitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine
SMILESCC/C(=N\N=C(N)N)c1ccc(OCc2ccccc2)cc1.O=[N+]([O-])O
InChIInChI=1S/C17H20N4O.HNO3/c1-2-16(20-21-17(18)19)14-8-10-15(11-9-14)22-12-13-6-4-3-5-7-13;2-1(3)4/h3-11H,2,12H2,1H3,(H4,18,19,21);(H,2,3,4)/b20-16+;
InChIKeyIMYYFVJGWFEMHQ-QTNJPTFUSA-N
MW359.39 g/mol
LogP2.31
Rot. Bonds6

About nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine

nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine (PubChem CID 45049782) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine.

Molecular Properties

Compound Namenitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine
PubChem CID45049782
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Namenitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine
SMILESCC/C(=N\N=C(N)N)c1ccc(OCc2ccccc2)cc1.O=[N+]([O-])O
InChIInChI=1S/C17H20N4O.HNO3/c1-2-16(20-21-17(18)19)14-8-10-15(11-9-14)22-12-13-6-4-3-5-7-13;2-1(3)4/h3-11H,2,12H2,1H3,(H4,18,19,21);(H,2,3,4)/b20-16+;
InChIKeyIMYYFVJGWFEMHQ-QTNJPTFUSA-N
XLogP2.31
TPSA149.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine
CID 178024710
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
CID 4933037
(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 43822637
2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine
CID 178024650
4-phenylmethoxy-N'-propylbenzenecarboximidamide
CID 57153315
2-bromo-2-nitro-1-(4-phenylmethoxyphenyl)ethanone
CID 174909908
4-phenylmethoxybenzoic acid
CID 68896574
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
2-(1-phenylbutylideneamino)guanidine
CID 76872532
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 3-methyl-4-nitrobenzoate
CID 1421535

Frequently Asked Questions

What is the IUPAC name of nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine?
The IUPAC name of nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine (CID 45049782) is nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine.
What is the SMILES notation for nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine?
The canonical SMILES for nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine is CC/C(=N\N=C(N)N)c1ccc(OCc2ccccc2)cc1.O=[N+]([O-])O.
What is the InChIKey of nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine?
The InChIKey is IMYYFVJGWFEMHQ-QTNJPTFUSA-N. The full InChI is InChI=1S/C17H20N4O.HNO3/c1-2-16(20-21-17(18)19)14-8-10-15(11-9-14)22-12-13-6-4-3-5-7-13;2-1(3)4/h3-11H,2,12H2,1H3,(H4,18,19,21);(H,2,3,4)/b20-16+;.
What are the key properties of nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine?
nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine has a molecular weight of 359.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine is sourced from PubChem (CID 45049782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).