propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate

C7H15N3O2 — CID 58684879

IUPACpropan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate
SMILESC/C(CN)=N\NC(=O)OC(C)C
InChIInChI=1S/C7H15N3O2/c1-5(2)12-7(11)10-9-6(3)4-8/h5H,4,8H2,1-3H3,(H,10,11)/b9-6+
InChIKeyFXXXITIWSYZGFX-RMKNXTFCSA-N
MW173.22 g/mol
LogP0.46
Rot. Bonds3

About propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate

propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate (PubChem CID 58684879) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate
PubChem CID58684879
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Namepropan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate
SMILESC/C(CN)=N\NC(=O)OC(C)C
InChIInChI=1S/C7H15N3O2/c1-5(2)12-7(11)10-9-6(3)4-8/h5H,4,8H2,1-3H3,(H,10,11)/b9-6+
InChIKeyFXXXITIWSYZGFX-RMKNXTFCSA-N
XLogP0.46
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate 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

1-[(E)-1-aminopropan-2-ylideneamino]-3-ethylurea
CID 58685097
methyl N-(5-methylhexan-2-ylideneamino)carbamate
CID 131853337
propan-2-yl N-(4-aminobutan-2-yl)carbamate
CID 62094213
methyl (2S)-3-amino-2-(propan-2-yloxycarbonylamino)propanoate
CID 87499575
propan-2-yl N-sulfanylcarbamate
CID 57037214
propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 116657976
propan-2-yl (propan-2-yloxycarbonylamino) carbonate
CID 12985743
propan-2-yl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141226
propan-2-yl N-(3-methylbut-2-enyl)carbamate
CID 106186267
ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
CID 167448544
propan-2-yl N-(5-aminohexan-2-yl)carbamate
CID 123188257
3-oxobutanoic acid;propan-2-yl acetate
CID 160874016

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate?
The IUPAC name of propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate (CID 58684879) is propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate.
What is the SMILES notation for propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate?
The canonical SMILES for propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate is C/C(CN)=N\NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate?
The InChIKey is FXXXITIWSYZGFX-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-5(2)12-7(11)10-9-6(3)4-8/h5H,4,8H2,1-3H3,(H,10,11)/b9-6+.
What are the key properties of propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate?
propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate has a molecular weight of 173.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(E)-1-aminopropan-2-ylideneamino]carbamate is sourced from PubChem (CID 58684879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).