N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide

C12H19N3O — CID 102398276

IUPACN'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide
SMILESCC(C)(CN)/N=C/NOCc1ccccc1
InChIInChI=1S/C12H19N3O/c1-12(2,9-13)14-10-15-16-8-11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3,(H,14,15)
InChIKeyTVDQUNUCWDMYDZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.47
Rot. Bonds6

About N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide

N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide (PubChem CID 102398276) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide.

Molecular Properties

Compound NameN'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide
PubChem CID102398276
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide
SMILESCC(C)(CN)/N=C/NOCc1ccccc1
InChIInChI=1S/C12H19N3O/c1-12(2,9-13)14-10-15-16-8-11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3,(H,14,15)
InChIKeyTVDQUNUCWDMYDZ-UHFFFAOYSA-N
XLogP1.47
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one
CID 10243078
2-methyl-N-phenylmethoxybut-3-en-2-amine
CID 101441641
N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide
CID 5325276
2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
2-chloro-2-methyl-N-phenylmethoxypropanamide
CID 141458556
benzyl 3-amino-2-iodo-2-methylpropanoate
CID 146339720
N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine
CID 132515040
2-methoxy-2-methyl-N-phenylmethoxypropan-1-amine
CID 130611916
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724
3-hydroxy-3-methyl-2-(phenylmethoxyamino)butanoic acid
CID 175063252
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide
CID 12593594

Frequently Asked Questions

What is the IUPAC name of N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide?
The IUPAC name of N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide (CID 102398276) is N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide.
What is the SMILES notation for N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide?
The canonical SMILES for N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide is CC(C)(CN)/N=C/NOCc1ccccc1.
What is the InChIKey of N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide?
The InChIKey is TVDQUNUCWDMYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,9-13)14-10-15-16-8-11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3,(H,14,15).
What are the key properties of N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide?
N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide has a molecular weight of 221.30 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide is sourced from PubChem (CID 102398276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).