tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate

C14H25N3O3 — CID 6141635

IUPACtert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate
SMILESC/C(CC(=O)NC1CCCC1)=N\NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O3/c1-10(16-17-13(19)20-14(2,3)4)9-12(18)15-11-7-5-6-8-11/h11H,5-9H2,1-4H3,(H,15,18)(H,17,19)/b16-10+
InChIKeyZAGMCUXLZPULAS-MHWRWJLKSA-N
MW283.37 g/mol
LogP2.34
Rot. Bonds4

About tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate

tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate (PubChem CID 6141635) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate
PubChem CID6141635
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate
SMILESC/C(CC(=O)NC1CCCC1)=N\NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O3/c1-10(16-17-13(19)20-14(2,3)4)9-12(18)15-11-7-5-6-8-11/h11H,5-9H2,1-4H3,(H,15,18)(H,17,19)/b16-10+
InChIKeyZAGMCUXLZPULAS-MHWRWJLKSA-N
XLogP2.34
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate
CID 124927744
tert-butyl 4-(cyclobutylamino)-4-oxobutanoate
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CID 6088595
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
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tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
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N-cycloheptyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604811
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
tert-butyl N-[3-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]propyl]carbamate
CID 110992749
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
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N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide
CID 54169753

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate?
The IUPAC name of tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate (CID 6141635) is tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate?
The canonical SMILES for tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate is C/C(CC(=O)NC1CCCC1)=N\NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate?
The InChIKey is ZAGMCUXLZPULAS-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10(16-17-13(19)20-14(2,3)4)9-12(18)15-11-7-5-6-8-11/h11H,5-9H2,1-4H3,(H,15,18)(H,17,19)/b16-10+.
What are the key properties of tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate?
tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate has a molecular weight of 283.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate is sourced from PubChem (CID 6141635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).