3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide

C20H26N6 — CID 159784015

IUPAC3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide
SMILESCC(C/N=N/C[C@@H](C)/C(N)=N/c1ccccc1)/C(N)=N/c1ccccc1
InChIInChI=1S/C20H26N6/c1-15(19(21)25-17-9-5-3-6-10-17)13-23-24-14-16(2)20(22)26-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H2,21,25)(H2,22,26)/b24-23+/t15-,16?/m1/s1
InChIKeyNLSMPUXDZWRNOV-VQMPSXAKSA-N
MW350.47 g/mol
LogP4.09
Rot. Bonds8

About 3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide

3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide (PubChem CID 159784015) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide.

Molecular Properties

Compound Name3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide
PubChem CID159784015
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide
SMILESCC(C/N=N/C[C@@H](C)/C(N)=N/c1ccccc1)/C(N)=N/c1ccccc1
InChIInChI=1S/C20H26N6/c1-15(19(21)25-17-9-5-3-6-10-17)13-23-24-14-16(2)20(22)26-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H2,21,25)(H2,22,26)/b24-23+/t15-,16?/m1/s1
InChIKeyNLSMPUXDZWRNOV-VQMPSXAKSA-N
XLogP4.09
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[[[3-amino-3-(4-chlorophenyl)imino-2-methylpropyl]diazenyl]methyl]-3-chloro-N'-(2,4-dichlorophenyl)propanimidamide
CID 91299306
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
ethanol;2-phenylguanidine
CID 172840613
bis(2-phenylguanidine);dihydrochloride
CID 160984545
(Z)-5-methyl-4-phenyliminohex-2-en-2-amine
CID 177051041
ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine
CID 169215702
hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile
CID 88713139
2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide
CID 123822499
deuteriomethane;ethane;2-phenylguanidine
CID 91130505
1-methyl-1-(2-methylbutyl)-2-phenylguanidine
CID 62363380
1,1-dichloro-4-methyl-N-phenylpentan-2-imine
CID 15621082
1-di(propan-2-yl)phosphanyl-N,1-diphenylmethanimine
CID 122373224

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide?
The IUPAC name of 3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide (CID 159784015) is 3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide.
What is the SMILES notation for 3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide?
The canonical SMILES for 3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide is CC(C/N=N/C[C@@H](C)/C(N)=N/c1ccccc1)/C(N)=N/c1ccccc1.
What is the InChIKey of 3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide?
The InChIKey is NLSMPUXDZWRNOV-VQMPSXAKSA-N. The full InChI is InChI=1S/C20H26N6/c1-15(19(21)25-17-9-5-3-6-10-17)13-23-24-14-16(2)20(22)26-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H2,21,25)(H2,22,26)/b24-23+/t15-,16?/m1/s1.
What are the key properties of 3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide?
3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide has a molecular weight of 350.47 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide is sourced from PubChem (CID 159784015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).