tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate

C16H32N2O2 — CID 104859858

IUPACtert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNC1CC(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-7-16(8-2,11-17-13-9-12(3)10-13)18-14(19)20-15(4,5)6/h12-13,17H,7-11H2,1-6H3,(H,18,19)
InChIKeyFYJYTWCTKVKBTA-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.46
Rot. Bonds6

About tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate

tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate (PubChem CID 104859858) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate
PubChem CID104859858
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNC1CC(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-7-16(8-2,11-17-13-9-12(3)10-13)18-14(19)20-15(4,5)6/h12-13,17H,7-11H2,1-6H3,(H,18,19)
InChIKeyFYJYTWCTKVKBTA-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]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-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
CID 107251671
tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate
CID 107251589
tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate
CID 103714780
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid
CID 107251605
tert-butyl N-(3-ethyl-1-hydroxypentan-3-yl)carbamate
CID 131125544
tert-butyl N-[3-[[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]methyl]pentan-3-yl]carbamate
CID 114223470
tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
CID 107257517
tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
CID 104624820
tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate
CID 107417431
N,2,2-trimethyl-3-[(3-methylcyclobutyl)amino]propanamide
CID 104859958

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate (CID 104859858) is tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate is CCC(CC)(CNC1CC(C)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate?
The InChIKey is FYJYTWCTKVKBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-16(8-2,11-17-13-9-12(3)10-13)18-14(19)20-15(4,5)6/h12-13,17H,7-11H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate?
tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate is sourced from PubChem (CID 104859858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).