butyl (NZ)-N-(1-aminoethylidene)carbamate

C7H14N2O2 — CID 59984960

IUPACbutyl (NZ)-N-(1-aminoethylidene)carbamate
SMILESCCCCOC(=O)/N=C(/C)N
InChIInChI=1S/C7H14N2O2/c1-3-4-5-11-7(10)9-6(2)8/h3-5H2,1-2H3,(H2,8,9,10)
InChIKeyHREUSRAHURTQAN-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.30
Rot. Bonds3

About butyl (NZ)-N-(1-aminoethylidene)carbamate

butyl (NZ)-N-(1-aminoethylidene)carbamate (PubChem CID 59984960) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is butyl (NZ)-N-(1-aminoethylidene)carbamate.

Molecular Properties

Compound Namebutyl (NZ)-N-(1-aminoethylidene)carbamate
PubChem CID59984960
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namebutyl (NZ)-N-(1-aminoethylidene)carbamate
SMILESCCCCOC(=O)/N=C(/C)N
InChIInChI=1S/C7H14N2O2/c1-3-4-5-11-7(10)9-6(2)8/h3-5H2,1-2H3,(H2,8,9,10)
InChIKeyHREUSRAHURTQAN-UHFFFAOYSA-N
XLogP1.30
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

propyl N-(diaminomethylidene)carbamate
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butyl carbamate;phosphane
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butyl carbamate;hydrochloride
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butyl carbamate;hydroiodide
CID 161347358
CID 159701402
CID 159701402
CID 159328585
CID 159328585
CID 87429945
CID 87429945
octadecyl N-(octadecoxycarbonylimino-λ4-sulfanylidene)carbamate
CID 19777044
dibutyl (Z)-2,3-dimethylbut-2-enedioate
CID 87788407
acetic acid;dibutyl oxalate
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acetic acid;butyl acetate
CID 158450873
butyl hydrogen carbonate
CID 157271096

Frequently Asked Questions

What is the IUPAC name of butyl (NZ)-N-(1-aminoethylidene)carbamate?
The IUPAC name of butyl (NZ)-N-(1-aminoethylidene)carbamate (CID 59984960) is butyl (NZ)-N-(1-aminoethylidene)carbamate.
What is the SMILES notation for butyl (NZ)-N-(1-aminoethylidene)carbamate?
The canonical SMILES for butyl (NZ)-N-(1-aminoethylidene)carbamate is CCCCOC(=O)/N=C(/C)N.
What is the InChIKey of butyl (NZ)-N-(1-aminoethylidene)carbamate?
The InChIKey is HREUSRAHURTQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-4-5-11-7(10)9-6(2)8/h3-5H2,1-2H3,(H2,8,9,10).
What are the key properties of butyl (NZ)-N-(1-aminoethylidene)carbamate?
butyl (NZ)-N-(1-aminoethylidene)carbamate has a molecular weight of 158.20 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (NZ)-N-(1-aminoethylidene)carbamate is sourced from PubChem (CID 59984960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).