N,N'-diamino-3-propan-2-ylbenzenecarboximidamide

C10H16N4 — CID 170970616

IUPACN,N'-diamino-3-propan-2-ylbenzenecarboximidamide
SMILESCC(C)c1cccc(/C(=N/N)NN)c1
InChIInChI=1S/C10H16N4/c1-7(2)8-4-3-5-9(6-8)10(13-11)14-12/h3-7H,11-12H2,1-2H3,(H,13,14)
InChIKeyXAZHLGBGRATTGU-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.89
Rot. Bonds2

About N,N'-diamino-3-propan-2-ylbenzenecarboximidamide

N,N'-diamino-3-propan-2-ylbenzenecarboximidamide (PubChem CID 170970616) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N,N'-diamino-3-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN,N'-diamino-3-propan-2-ylbenzenecarboximidamide
PubChem CID170970616
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN,N'-diamino-3-propan-2-ylbenzenecarboximidamide
SMILESCC(C)c1cccc(/C(=N/N)NN)c1
InChIInChI=1S/C10H16N4/c1-7(2)8-4-3-5-9(6-8)10(13-11)14-12/h3-7H,11-12H2,1-2H3,(H,13,14)
InChIKeyXAZHLGBGRATTGU-UHFFFAOYSA-N
XLogP0.89
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(Z)-2-hydrazinyl-2-(3-propan-2-ylphenyl)ethenamine
CID 170970755
1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate
CID 89230428
N-methyl-1-(3-propan-2-ylphenyl)ethanimine
CID 59110491
N-methylsulfonyl-3-propan-2-ylbenzamide
CID 59434803
2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide
CID 66768595
1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
CID 170970604
2-chloro-1-(3-propan-2-ylphenyl)propan-1-one
CID 131009235
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine
CID 23568826
2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
(Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine
CID 156898559

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-3-propan-2-ylbenzenecarboximidamide?
The IUPAC name of N,N'-diamino-3-propan-2-ylbenzenecarboximidamide (CID 170970616) is N,N'-diamino-3-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for N,N'-diamino-3-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for N,N'-diamino-3-propan-2-ylbenzenecarboximidamide is CC(C)c1cccc(/C(=N/N)NN)c1.
What is the InChIKey of N,N'-diamino-3-propan-2-ylbenzenecarboximidamide?
The InChIKey is XAZHLGBGRATTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-7(2)8-4-3-5-9(6-8)10(13-11)14-12/h3-7H,11-12H2,1-2H3,(H,13,14).
What are the key properties of N,N'-diamino-3-propan-2-ylbenzenecarboximidamide?
N,N'-diamino-3-propan-2-ylbenzenecarboximidamide has a molecular weight of 192.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-3-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 170970616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).