N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide

C20H23N5O — CID 143029921

IUPACN,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
SMILESNN=C(NN)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C20H23N5O/c21-24-19(25-22)15-7-5-14(6-8-15)17-13-20(9-11-23-12-10-20)26-18-4-2-1-3-16(17)18/h1-8,13,23H,9-12,21-22H2,(H,24,25)
InChIKeyWMXQIVFEXQTHLO-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.72
Rot. Bonds2

About N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide

N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide (PubChem CID 143029921) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
PubChem CID143029921
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
SMILESNN=C(NN)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C20H23N5O/c21-24-19(25-22)15-7-5-14(6-8-15)17-13-20(9-11-23-12-10-20)26-18-4-2-1-3-16(17)18/h1-8,13,23H,9-12,21-22H2,(H,24,25)
InChIKeyWMXQIVFEXQTHLO-UHFFFAOYSA-N
XLogP1.72
TPSA97.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-spiro[chromene-2,4'-piperidine]-4-ylphenol
CID 25129433
S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
CID 143029851
N'-[amino-[4-(methanesulfinamido)butyl]amino]-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143304180
2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide
CID 59674350
N-[6-[amino-[(Z)-[amino-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methylidene]amino]amino]hexyl]acetamide
CID 143304267
ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
CID 143304248
N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143029810
(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine
CID 143642783
2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine
CID 11955546
ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide
CID 143642659
but-2-yne;ethane;(2S)-2-methylthiirane;S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
CID 143642554
3-spiro[chromene-2,4'-piperidine]-4-ylbenzonitrile
CID 59674314

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide?
The IUPAC name of N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide (CID 143029921) is N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide.
What is the SMILES notation for N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide?
The canonical SMILES for N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide is NN=C(NN)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1.
What is the InChIKey of N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide?
The InChIKey is WMXQIVFEXQTHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c21-24-19(25-22)15-7-5-14(6-8-15)17-13-20(9-11-23-12-10-20)26-18-4-2-1-3-16(17)18/h1-8,13,23H,9-12,21-22H2,(H,24,25).
What are the key properties of N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide?
N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide has a molecular weight of 349.44 g/mol, XLogP of 1.72, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide is sourced from PubChem (CID 143029921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).