N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide

C23H33N5 — CID 142875261

IUPACN'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide
SMILESCC(C)C(C)NCc1ccc(-c2ccccc2/C(N)=N/N=N/C(C)(C)C)cc1
InChIInChI=1S/C23H33N5/c1-16(2)17(3)25-15-18-11-13-19(14-12-18)20-9-7-8-10-21(20)22(24)26-28-27-23(4,5)6/h7-14,16-17,25H,15H2,1-6H3,(H2,24,26,27)
InChIKeyMGOIHUGMXGUATG-UHFFFAOYSA-N
MW379.55 g/mol
LogP5.36
Rot. Bonds7

About N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide

N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide (PubChem CID 142875261) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide
PubChem CID142875261
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC NameN'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide
SMILESCC(C)C(C)NCc1ccc(-c2ccccc2/C(N)=N/N=N/C(C)(C)C)cc1
InChIInChI=1S/C23H33N5/c1-16(2)17(3)25-15-18-11-13-19(14-12-18)20-9-7-8-10-21(20)22(24)26-28-27-23(4,5)6/h7-14,16-17,25H,15H2,1-6H3,(H2,24,26,27)
InChIKeyMGOIHUGMXGUATG-UHFFFAOYSA-N
XLogP5.36
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

2-(4-ethylphenyl)-N'-(methylamino)benzenecarboximidamide
CID 143686503
N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide
CID 54093932
(2S,3R)-2-[[4-[2-[(Z)-C-aminocarbonohydrazonoyl]-3-sulfamoylphenyl]phenyl]methylamino]-3-hydroxybutanoic acid
CID 144893555
3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 43085087
methanesulfonic acid;2-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylamino]propanamide
CID 175034702
(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
CID 10315945
(2R)-2-[[4-(2-methoxyphenyl)phenyl]methylamino]propan-1-ol
CID 111466419
N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide
CID 129205464
tert-butyl 4-[[4-[2-(N'-hydroxycarbamimidoyl)phenyl]phenyl]methyl]piperazine-1-carboxylate
CID 53397861
(2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 28669868
(2S,3R)-3-(benzylamino)butane-1,2-diol
CID 130641208
(2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
CID 79253395

Frequently Asked Questions

What is the IUPAC name of N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide?
The IUPAC name of N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide (CID 142875261) is N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide?
The canonical SMILES for N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide is CC(C)C(C)NCc1ccc(-c2ccccc2/C(N)=N/N=N/C(C)(C)C)cc1.
What is the InChIKey of N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide?
The InChIKey is MGOIHUGMXGUATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-16(2)17(3)25-15-18-11-13-19(14-12-18)20-9-7-8-10-21(20)22(24)26-28-27-23(4,5)6/h7-14,16-17,25H,15H2,1-6H3,(H2,24,26,27).
What are the key properties of N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide?
N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide has a molecular weight of 379.55 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(tert-butyldiazenyl)-2-[4-[(3-methylbutan-2-ylamino)methyl]phenyl]benzenecarboximidamide is sourced from PubChem (CID 142875261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).