propyl N-(diaminomethylidene)carbamate

C5H11N3O2 — CID 154200308

IUPACpropyl N-(diaminomethylidene)carbamate
SMILESCCCOC(=O)N=C(N)N
InChIInChI=1S/C5H11N3O2/c1-2-3-10-5(9)8-4(6)7/h2-3H2,1H3,(H4,6,7,8,9)
InChIKeyUQKIDYSXMCZQKU-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.19
Rot. Bonds2

About propyl N-(diaminomethylidene)carbamate

propyl N-(diaminomethylidene)carbamate (PubChem CID 154200308) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is propyl N-(diaminomethylidene)carbamate.

Molecular Properties

Compound Namepropyl N-(diaminomethylidene)carbamate
PubChem CID154200308
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Namepropyl N-(diaminomethylidene)carbamate
SMILESCCCOC(=O)N=C(N)N
InChIInChI=1S/C5H11N3O2/c1-2-3-10-5(9)8-4(6)7/h2-3H2,1H3,(H4,6,7,8,9)
InChIKeyUQKIDYSXMCZQKU-UHFFFAOYSA-N
XLogP-0.19
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.19
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

butyl (NZ)-N-(1-aminoethylidene)carbamate
CID 59984960
propyl N-[amino-(4-aminophenyl)methylidene]carbamate
CID 142339281
2-methylpropyl N-(diaminomethylidene)carbamate
CID 87606933
propyl carbamate;dihydrochloride
CID 87576214
propyl (1E)-N-methoxycarbonylethanimidate
CID 21350809
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
propyl acetate;hydrate
CID 122690555
propyl (1Z)-N-methoxycarbonyl-1-methylsulfanylmethanimidate
CID 21350816
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
propyl but-2-ynoate
CID 22481182
propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate
CID 58741948
magnesium propyl carbonate
CID 22154995

Frequently Asked Questions

What is the IUPAC name of propyl N-(diaminomethylidene)carbamate?
The IUPAC name of propyl N-(diaminomethylidene)carbamate (CID 154200308) is propyl N-(diaminomethylidene)carbamate.
What is the SMILES notation for propyl N-(diaminomethylidene)carbamate?
The canonical SMILES for propyl N-(diaminomethylidene)carbamate is CCCOC(=O)N=C(N)N.
What is the InChIKey of propyl N-(diaminomethylidene)carbamate?
The InChIKey is UQKIDYSXMCZQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-2-3-10-5(9)8-4(6)7/h2-3H2,1H3,(H4,6,7,8,9).
What are the key properties of propyl N-(diaminomethylidene)carbamate?
propyl N-(diaminomethylidene)carbamate has a molecular weight of 145.16 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(diaminomethylidene)carbamate is sourced from PubChem (CID 154200308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).