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

C14H23N3 — CID 63981703

IUPAC4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C(C)(C)CC)cc1
InChIInChI=1S/C14H23N3/c1-5-14(2,3)17(4)10-11-6-8-12(9-7-11)13(15)16/h6-9H,5,10H2,1-4H3,(H3,15,16)
InChIKeyPMPNOUKWVVFEBS-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.59
Rot. Bonds5

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

4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide (PubChem CID 63981703) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
PubChem CID63981703
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C(C)(C)CC)cc1
InChIInChI=1S/C14H23N3/c1-5-14(2,3)17(4)10-11-6-8-12(9-7-11)13(15)16/h6-9H,5,10H2,1-4H3,(H3,15,16)
InChIKeyPMPNOUKWVVFEBS-UHFFFAOYSA-N
XLogP2.59
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.59
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-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 106790881
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide
CID 55010658
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
CID 103189217
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
CID 63693518
4-[[bis(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 61377517
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
CID 63694374
4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
CID 82240686
4-[[1-methoxypropan-2-yl(methyl)amino]methyl]benzenecarboximidamide
CID 54946663
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
2-[4-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351975
4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
CID 43614126

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide (CID 63981703) is 4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)C(C)(C)CC)cc1.
What is the InChIKey of 4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide?
The InChIKey is PMPNOUKWVVFEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-14(2,3)17(4)10-11-6-8-12(9-7-11)13(15)16/h6-9H,5,10H2,1-4H3,(H3,15,16).
What are the key properties of 4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide?
4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide has a molecular weight of 233.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 63981703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).