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

C15H25N3 — CID 55010658

IUPAC4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C(C)C(C)(C)C)cc1
InChIInChI=1S/C15H25N3/c1-11(15(2,3)4)18(5)10-12-6-8-13(9-7-12)14(16)17/h6-9,11H,10H2,1-5H3,(H3,16,17)
InChIKeyNMPKRYASKHHGBR-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.84
Rot. Bonds4

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

4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide (PubChem CID 55010658) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide
PubChem CID55010658
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C(C)C(C)(C)C)cc1
InChIInChI=1S/C15H25N3/c1-11(15(2,3)4)18(5)10-12-6-8-13(9-7-12)14(16)17/h6-9,11H,10H2,1-5H3,(H3,16,17)
InChIKeyNMPKRYASKHHGBR-UHFFFAOYSA-N
XLogP2.84
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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'}

Analyze 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-methoxypropan-2-yl(methyl)amino]methyl]benzenecarboximidamide
CID 54946663
4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 63981703
4-[[bis(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 61377517
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
CID 103189217
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
CID 63693518
4-(3-methylbutan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107750263
4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
CID 63694374
3-bromo-4-[3,3-dimethylbutan-2-yl(methyl)amino]benzenecarboximidamide
CID 82798993
4-(3-methylbutyl)benzenecarboximidamide
CID 137472926
4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
CID 43614126
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 55162446
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107

Frequently Asked Questions

What is the IUPAC name of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide (CID 55010658) is 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)C(C)C(C)(C)C)cc1.
What is the InChIKey of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide?
The InChIKey is NMPKRYASKHHGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11(15(2,3)4)18(5)10-12-6-8-13(9-7-12)14(16)17/h6-9,11H,10H2,1-5H3,(H3,16,17).
What are the key properties of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide?
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide has a molecular weight of 247.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 55010658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).