4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide

C15H23N3 — CID 81279187

IUPAC4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC(C)C)C2CC2)cc1C
InChIInChI=1S/C15H23N3/c1-10(2)9-18(12-4-5-12)13-6-7-14(15(16)17)11(3)8-13/h6-8,10,12H,4-5,9H2,1-3H3,(H3,16,17)
InChIKeyDUJOYBHKHOOMBY-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.90
Rot. Bonds5

About 4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide

4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide (PubChem CID 81279187) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide
PubChem CID81279187
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC(C)C)C2CC2)cc1C
InChIInChI=1S/C15H23N3/c1-10(2)9-18(12-4-5-12)13-6-7-14(15(16)17)11(3)8-13/h6-8,10,12H,4-5,9H2,1-3H3,(H3,16,17)
InChIKeyDUJOYBHKHOOMBY-UHFFFAOYSA-N
XLogP2.90
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide
CID 114904512
2-bromo-4-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzenecarboximidamide
CID 107536413
2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide
CID 81279169
4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 55001779
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbenzenecarboximidamide
CID 81279443
4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
CID 61451380
2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid
CID 81274144
2-methyl-4-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 81278369
4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 54995198
4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide
CID 63093350
2-methyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzenecarboximidamide
CID 81278791

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide?
The IUPAC name of 4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide (CID 81279187) is 4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CC(C)C)C2CC2)cc1C.
What is the InChIKey of 4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide?
The InChIKey is DUJOYBHKHOOMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-10(2)9-18(12-4-5-12)13-6-7-14(15(16)17)11(3)8-13/h6-8,10,12H,4-5,9H2,1-3H3,(H3,16,17).
What are the key properties of 4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide?
4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81279187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).