N-(1-aminobutylidene)cyclobutanecarboxamide

C9H16N2O — CID 130944346

IUPACN-(1-aminobutylidene)cyclobutanecarboxamide
SMILESCCC/C(N)=N\C(=O)C1CCC1
InChIInChI=1S/C9H16N2O/c1-2-4-8(10)11-9(12)7-5-3-6-7/h7H,2-6H2,1H3,(H2,10,11,12)
InChIKeyARNNQTGUHBGALQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.47
Rot. Bonds3

About N-(1-aminobutylidene)cyclobutanecarboxamide

N-(1-aminobutylidene)cyclobutanecarboxamide (PubChem CID 130944346) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(1-aminobutylidene)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(1-aminobutylidene)cyclobutanecarboxamide
PubChem CID130944346
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(1-aminobutylidene)cyclobutanecarboxamide
SMILESCCC/C(N)=N\C(=O)C1CCC1
InChIInChI=1S/C9H16N2O/c1-2-4-8(10)11-9(12)7-5-3-6-7/h7H,2-6H2,1H3,(H2,10,11,12)
InChIKeyARNNQTGUHBGALQ-UHFFFAOYSA-N
XLogP1.47
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-cycloheptylbutan-1-one
CID 54353743
1-cyclobutyldodecan-1-one
CID 115811550
2-(1-aminobutylideneamino)-N-cyclopropylacetamide
CID 63175544
3-propylcyclohexane-1-carboxamide
CID 141116974
N'-[(2-methylcyclohexyl)methyl]butanimidamide
CID 63176610
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
N'-[(1,1-dioxothiolan-2-yl)methyl]butanimidamide
CID 81047055
1-[(1S,2R)-2-aminocyclopentyl]butan-1-one
CID 178190862
1-cyclobutyl-3-(ethylamino)propan-1-one
CID 116565933
1-cyclobutyl-2-methylbutan-1-one
CID 79446135
(2S)-1-cyclobutyl-2-methylbutan-1-one
CID 142214969
N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide
CID 76929440

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutylidene)cyclobutanecarboxamide?
The IUPAC name of N-(1-aminobutylidene)cyclobutanecarboxamide (CID 130944346) is N-(1-aminobutylidene)cyclobutanecarboxamide.
What is the SMILES notation for N-(1-aminobutylidene)cyclobutanecarboxamide?
The canonical SMILES for N-(1-aminobutylidene)cyclobutanecarboxamide is CCC/C(N)=N\C(=O)C1CCC1.
What is the InChIKey of N-(1-aminobutylidene)cyclobutanecarboxamide?
The InChIKey is ARNNQTGUHBGALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-4-8(10)11-9(12)7-5-3-6-7/h7H,2-6H2,1H3,(H2,10,11,12).
What are the key properties of N-(1-aminobutylidene)cyclobutanecarboxamide?
N-(1-aminobutylidene)cyclobutanecarboxamide has a molecular weight of 168.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutylidene)cyclobutanecarboxamide is sourced from PubChem (CID 130944346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).