tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate

C17H35N3O2 — CID 103494649

IUPACtert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate
SMILESCC(C)C1CCN(C(CN)C(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-12(2)14-7-9-20(10-8-14)15(11-18)13(3)19-16(21)22-17(4,5)6/h12-15H,7-11,18H2,1-6H3,(H,19,21)
InChIKeyYLIUDZUGTCGMPU-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.59
Rot. Bonds5

About tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate

tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate (PubChem CID 103494649) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate
PubChem CID103494649
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate
SMILESCC(C)C1CCN(C(CN)C(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-12(2)14-7-9-20(10-8-14)15(11-18)13(3)19-16(21)22-17(4,5)6/h12-15H,7-11,18H2,1-6H3,(H,19,21)
InChIKeyYLIUDZUGTCGMPU-UHFFFAOYSA-N
XLogP2.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-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-[4-amino-3-(4-propan-2-ylazepan-1-yl)butan-2-yl]carbamate
CID 102730149
tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate
CID 102730414
tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate
CID 102730438
tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate
CID 102729910
tert-butyl N-[4-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-2-yl]carbamate
CID 102730326
tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate
CID 102730487
tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate
CID 102729964
tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate
CID 102729640
tert-butyl (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101268797
ethyl (4S)-3-(aminomethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 130293337
tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate
CID 103783956
tert-butyl N-[1-cyclohexyl-1-(ethylamino)propan-2-yl]carbamate
CID 69262935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate (CID 103494649) is tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate is CC(C)C1CCN(C(CN)C(C)NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate?
The InChIKey is YLIUDZUGTCGMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-12(2)14-7-9-20(10-8-14)15(11-18)13(3)19-16(21)22-17(4,5)6/h12-15H,7-11,18H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate?
tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate has a molecular weight of 313.49 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate is sourced from PubChem (CID 103494649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).