tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate

C13H23N3O2 — CID 67160005

IUPACtert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate
SMILESCC(C)(C)OC(=O)NN=C1CCN(C2CC2)CC1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)18-12(17)15-14-10-6-8-16(9-7-10)11-4-5-11/h11H,4-9H2,1-3H3,(H,15,17)
InChIKeyZATMDOVEQVIIPK-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.13
Rot. Bonds2

About tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate

tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate (PubChem CID 67160005) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate
PubChem CID67160005
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Nametert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate
SMILESCC(C)(C)OC(=O)NN=C1CCN(C2CC2)CC1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)18-12(17)15-14-10-6-8-16(9-7-10)11-4-5-11/h11H,4-9H2,1-3H3,(H,15,17)
InChIKeyZATMDOVEQVIIPK-UHFFFAOYSA-N
XLogP2.13
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-[(4-methylcyclohexylidene)amino]carbamate
CID 3505257
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate
CID 178015378
tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate
CID 131984906
methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate
CID 4650730
tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate
CID 137358606
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate
CID 166675225
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate
CID 53256365
tert-butyl 4-(methylhydrazinylidene)piperidine-1-carboxylate
CID 59463664
tert-butyl N-[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamate
CID 159168644

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate?
The IUPAC name of tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate (CID 67160005) is tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate?
The canonical SMILES for tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate is CC(C)(C)OC(=O)NN=C1CCN(C2CC2)CC1.
What is the InChIKey of tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate?
The InChIKey is ZATMDOVEQVIIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2,3)18-12(17)15-14-10-6-8-16(9-7-10)11-4-5-11/h11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate?
tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate has a molecular weight of 253.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate is sourced from PubChem (CID 67160005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).