3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide

C15H25N3 — CID 54999579

IUPAC3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)C(C)CC(C)C)c1
InChIInChI=1S/C15H25N3/c1-11(2)8-12(3)18(4)10-13-6-5-7-14(9-13)15(16)17/h5-7,9,11-12H,8,10H2,1-4H3,(H3,16,17)
InChIKeySDMDBPKGZJAYET-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.84
Rot. Bonds6

About 3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide

3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide (PubChem CID 54999579) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide
PubChem CID54999579
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)C(C)CC(C)C)c1
InChIInChI=1S/C15H25N3/c1-11(2)8-12(3)18(4)10-13-6-5-7-14(9-13)15(16)17/h5-7,9,11-12H,8,10H2,1-4H3,(H3,16,17)
InChIKeySDMDBPKGZJAYET-UHFFFAOYSA-N
XLogP2.84
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.84
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

3-[[2-ethylbutyl(methyl)amino]methyl]benzenecarboximidamide
CID 82926171
3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide
CID 43294977
3-[[pentyl(propan-2-yl)amino]methyl]benzenecarboximidamide
CID 55002214
3-[[(3,5-difluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 105403802
3-[[(2,6-difluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 114930355
3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide
CID 62968427
3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]benzenecarboximidamide
CID 64566293
3-[[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]methyl]benzenecarboximidamide
CID 64772907
3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide
CID 102632464
3-[[(2S)-4-methylpentan-2-yl]amino]benzenecarboximidamide
CID 70078867
3-[3-[(N-methylanilino)methyl]phenyl]benzenecarboximidamide
CID 59894348
3-[(N-butylanilino)methyl]benzenecarboximidamide
CID 64585202

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide (CID 54999579) is 3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CN(C)C(C)CC(C)C)c1.
What is the InChIKey of 3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide?
The InChIKey is SDMDBPKGZJAYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11(2)8-12(3)18(4)10-13-6-5-7-14(9-13)15(16)17/h5-7,9,11-12H,8,10H2,1-4H3,(H3,16,17).
What are the key properties of 3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide?
3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide has a molecular weight of 247.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 54999579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).