3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide

C14H23N3 — CID 107110036

IUPAC3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(C)C(C)C(C)C
InChIInChI=1S/C14H23N3/c1-9(2)11(4)17(5)13-10(3)7-6-8-12(13)14(15)16/h6-9,11H,1-5H3,(H3,15,16)
InChIKeyCQYVHZSSEVOKTN-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.76
Rot. Bonds4

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

3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide (PubChem CID 107110036) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
PubChem CID107110036
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(C)C(C)C(C)C
InChIInChI=1S/C14H23N3/c1-9(2)11(4)17(5)13-10(3)7-6-8-12(13)14(15)16/h6-9,11H,1-5H3,(H3,15,16)
InChIKeyCQYVHZSSEVOKTN-UHFFFAOYSA-N
XLogP2.76
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.76
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

2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110403
3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107110148
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
CID 107110371
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 62308122
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
2-[(4-bromophenyl)methyl-methylamino]-3-methylbenzenecarboximidamide
CID 107110089
3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 107111025
2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 107109995
2-[2-methoxyethyl(pentan-3-yl)amino]-3-methylbenzenecarboximidamide
CID 107110158
2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110306

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide?
The IUPAC name of 3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide (CID 107110036) is 3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for 3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N(C)C(C)C(C)C.
What is the InChIKey of 3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide?
The InChIKey is CQYVHZSSEVOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-9(2)11(4)17(5)13-10(3)7-6-8-12(13)14(15)16/h6-9,11H,1-5H3,(H3,15,16).
What are the key properties of 3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide?
3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide has a molecular weight of 233.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 107110036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).