tert-butyl N-[4-(cyclobutylamino)butyl]carbamate

C13H26N2O2 — CID 130986034

IUPACtert-butyl N-[4-(cyclobutylamino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNC1CCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-10-5-4-9-14-11-7-6-8-11/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyFCYWDURFHCOIKJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.43
Rot. Bonds6

About tert-butyl N-[4-(cyclobutylamino)butyl]carbamate

tert-butyl N-[4-(cyclobutylamino)butyl]carbamate (PubChem CID 130986034) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[4-(cyclobutylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(cyclobutylamino)butyl]carbamate
PubChem CID130986034
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[4-(cyclobutylamino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNC1CCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-10-5-4-9-14-11-7-6-8-11/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyFCYWDURFHCOIKJ-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-(cyclobutylamino)butyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[7-[(4-aminocyclohexyl)amino]heptyl]carbamate
CID 177068003
tert-butyl N-[3-[(1-methylazepan-4-yl)amino]propyl]carbamate
CID 103859795
tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 115653280
tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate
CID 107253047
tert-butyl N-[3-[(3,4-dimethylcyclohexyl)amino]propyl]carbamate;hydrochloride
CID 119031354
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate
CID 103821865
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(cyclobutylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(cyclobutylamino)butyl]carbamate (CID 130986034) is tert-butyl N-[4-(cyclobutylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(cyclobutylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(cyclobutylamino)butyl]carbamate is CC(C)(C)OC(=O)NCCCCNC1CCC1.
What is the InChIKey of tert-butyl N-[4-(cyclobutylamino)butyl]carbamate?
The InChIKey is FCYWDURFHCOIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-10-5-4-9-14-11-7-6-8-11/h11,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[4-(cyclobutylamino)butyl]carbamate?
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(cyclobutylamino)butyl]carbamate is sourced from PubChem (CID 130986034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).