N-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide

C11H17N3 — CID 61363223

IUPACN-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide
SMILESC/N=C(\NN)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H17N3/c1-8(2)9-4-6-10(7-5-9)11(13-3)14-12/h4-8H,12H2,1-3H3,(H,13,14)
InChIKeyPTTRHSDMFBETBC-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.65
Rot. Bonds2

About N-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide

N-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide (PubChem CID 61363223) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide
PubChem CID61363223
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide
SMILESC/N=C(\NN)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H17N3/c1-8(2)9-4-6-10(7-5-9)11(13-3)14-12/h4-8H,12H2,1-3H3,(H,13,14)
InChIKeyPTTRHSDMFBETBC-UHFFFAOYSA-N
XLogP1.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-amino-4-chloro-N'-methylbenzenecarboximidamide
CID 61361047
N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide
CID 61361536
N,N'-diamino-3-propan-2-ylbenzenecarboximidamide
CID 170970616
4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
CID 22648594
(4-propan-2-ylphenyl)hydrazine
CID 2733249
N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 170756515
methane;4-propan-2-ylphenol
CID 159328733
(1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride
CID 88830751
(NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine
CID 6309286
cumene;N'-methylethanimidamide
CID 142863724
2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide
CID 75466428
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide?
The IUPAC name of N-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide (CID 61363223) is N-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for N-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide is C/N=C(\NN)c1ccc(C(C)C)cc1.
What is the InChIKey of N-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide?
The InChIKey is PTTRHSDMFBETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8(2)9-4-6-10(7-5-9)11(13-3)14-12/h4-8H,12H2,1-3H3,(H,13,14).
What are the key properties of N-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide?
N-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide has a molecular weight of 191.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-4-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 61363223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).