3-[(tert-butylamino)methyl]benzenecarboximidamide

C12H19N3 — CID 163795813

IUPAC3-[(tert-butylamino)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C12H19N3/c1-12(2,3)15-8-9-5-4-6-10(7-9)11(13)14/h4-7,15H,8H2,1-3H3,(H3,13,14)
InChIKeyNARDQEPWOZDGAH-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.86
Rot. Bonds3

About 3-[(tert-butylamino)methyl]benzenecarboximidamide

3-[(tert-butylamino)methyl]benzenecarboximidamide (PubChem CID 163795813) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]benzenecarboximidamide
PubChem CID163795813
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-[(tert-butylamino)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C12H19N3/c1-12(2,3)15-8-9-5-4-6-10(7-9)11(13)14/h4-7,15H,8H2,1-3H3,(H3,13,14)
InChIKeyNARDQEPWOZDGAH-UHFFFAOYSA-N
XLogP1.86
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.86
H-Bond Donors ≤ 53
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

N-tert-butyl-3-(3-carbamimidoylphenyl)-2-methylpropanamide
CID 22888514
N-benzyl-2-methylpropan-2-amine;guanidine
CID 161475592
3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816930
3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
CID 62336532
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
3-[(2,4,6-trimethylphenoxy)methyl]benzenecarboximidamide
CID 61218400
N-[(3-carbamimidoylphenyl)methyl]azepane-1-carboxamide
CID 79152751
3-(3-carbamimidoylphenyl)-2-iminopropanamide
CID 87674720
3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 61220189
4-[[3-[[4-(N'-methylcarbamimidoyl)anilino]methyl]phenyl]methylamino]benzenecarboximidamide
CID 58652724
3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide
CID 138647417
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]benzenecarboximidamide?
The IUPAC name of 3-[(tert-butylamino)methyl]benzenecarboximidamide (CID 163795813) is 3-[(tert-butylamino)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(tert-butylamino)methyl]benzenecarboximidamide?
The canonical SMILES for 3-[(tert-butylamino)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CNC(C)(C)C)c1.
What is the InChIKey of 3-[(tert-butylamino)methyl]benzenecarboximidamide?
The InChIKey is NARDQEPWOZDGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-12(2,3)15-8-9-5-4-6-10(7-9)11(13)14/h4-7,15H,8H2,1-3H3,(H3,13,14).
What are the key properties of 3-[(tert-butylamino)methyl]benzenecarboximidamide?
3-[(tert-butylamino)methyl]benzenecarboximidamide has a molecular weight of 205.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]benzenecarboximidamide is sourced from PubChem (CID 163795813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).