methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate

C6H13N3O2 — CID 88915683

IUPACmethyl N-[2-(1-aminoethylideneamino)ethyl]carbamate
SMILESCOC(=O)NCC/N=C(\C)N
InChIInChI=1S/C6H13N3O2/c1-5(7)8-3-4-9-6(10)11-2/h3-4H2,1-2H3,(H2,7,8)(H,9,10)
InChIKeyIJHXWDCWXZGFCK-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.28
Rot. Bonds3

About methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate

methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate (PubChem CID 88915683) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(1-aminoethylideneamino)ethyl]carbamate
PubChem CID88915683
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Namemethyl N-[2-(1-aminoethylideneamino)ethyl]carbamate
SMILESCOC(=O)NCC/N=C(\C)N
InChIInChI=1S/C6H13N3O2/c1-5(7)8-3-4-9-6(10)11-2/h3-4H2,1-2H3,(H2,7,8)(H,9,10)
InChIKeyIJHXWDCWXZGFCK-UHFFFAOYSA-N
XLogP-0.28
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.28
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'}

Analyze methyl N-[2-(1-aminoethylideneamino)ethyl]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

2-(1-aminoethylideneamino)ethylurea
CID 83118199
tert-butyl N-[3-(1-aminoethylideneamino)propyl]carbamate
CID 158488177
1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea
CID 130944218
N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide
CID 115612306
tert-butyl N-[2-(diaminomethylideneamino)ethyl]carbamate;guanidine
CID 158640950
3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide
CID 115612361
tert-butyl N-[2-[[amino-(2-oxohydrazinyl)methylidene]amino]ethyl]carbamate
CID 155381201
methyl N-[(diaminomethylideneamino)methyl]carbamate
CID 121342438
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
tert-butyl N-[2-[[(Z)-1-amino-4-oxohex-2-enylidene]amino]ethyl]carbamate
CID 166715977
tert-butyl N-[3-(diaminomethylideneamino)propyl]carbamate
CID 15311263
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate?
The IUPAC name of methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate (CID 88915683) is methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate is COC(=O)NCC/N=C(\C)N.
What is the InChIKey of methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate?
The InChIKey is IJHXWDCWXZGFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-5(7)8-3-4-9-6(10)11-2/h3-4H2,1-2H3,(H2,7,8)(H,9,10).
What are the key properties of methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate?
methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate has a molecular weight of 159.19 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate is sourced from PubChem (CID 88915683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).