2-methylpropyl N-(diaminomethylidene)carbamate

C6H13N3O2 — CID 87606933

IUPAC2-methylpropyl N-(diaminomethylidene)carbamate
SMILESCC(C)COC(=O)N=C(N)N
InChIInChI=1S/C6H13N3O2/c1-4(2)3-11-6(10)9-5(7)8/h4H,3H2,1-2H3,(H4,7,8,9,10)
InChIKeyZNSPNRNGPIHYHN-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.05
Rot. Bonds2

About 2-methylpropyl N-(diaminomethylidene)carbamate

2-methylpropyl N-(diaminomethylidene)carbamate (PubChem CID 87606933) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-methylpropyl N-(diaminomethylidene)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(diaminomethylidene)carbamate
PubChem CID87606933
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2-methylpropyl N-(diaminomethylidene)carbamate
SMILESCC(C)COC(=O)N=C(N)N
InChIInChI=1S/C6H13N3O2/c1-4(2)3-11-6(10)9-5(7)8/h4H,3H2,1-2H3,(H4,7,8,9,10)
InChIKeyZNSPNRNGPIHYHN-UHFFFAOYSA-N
XLogP0.05
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.05
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-methylpropyl N-ethoxycarbonyliminocarbamate
CID 140646450
propyl N-(diaminomethylidene)carbamate
CID 154200308
2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate
CID 54481908
2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate
CID 142239438
2-methylpropyl acetate;hydrate
CID 86585368
CID 136863386
CID 136863386
2-methylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 59040980
2-methylpropyl 2-cyanopropanoate
CID 53424522
2-methylpropoxycarbonyl formate
CID 20708629
hydroxy 2-methylpropyl carbonate
CID 140981524
2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate
CID 162212649
2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate
CID 72612293

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(diaminomethylidene)carbamate?
The IUPAC name of 2-methylpropyl N-(diaminomethylidene)carbamate (CID 87606933) is 2-methylpropyl N-(diaminomethylidene)carbamate.
What is the SMILES notation for 2-methylpropyl N-(diaminomethylidene)carbamate?
The canonical SMILES for 2-methylpropyl N-(diaminomethylidene)carbamate is CC(C)COC(=O)N=C(N)N.
What is the InChIKey of 2-methylpropyl N-(diaminomethylidene)carbamate?
The InChIKey is ZNSPNRNGPIHYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-4(2)3-11-6(10)9-5(7)8/h4H,3H2,1-2H3,(H4,7,8,9,10).
What are the key properties of 2-methylpropyl N-(diaminomethylidene)carbamate?
2-methylpropyl N-(diaminomethylidene)carbamate has a molecular weight of 159.19 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(diaminomethylidene)carbamate is sourced from PubChem (CID 87606933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).