tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate

C17H35N3O2 — CID 102730533

IUPACtert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate
SMILESCC1CC(C)C(C)N(C(CN)CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H35N3O2/c1-12-9-13(2)14(3)20(11-12)15(10-18)7-8-19-16(21)22-17(4,5)6/h12-15H,7-11,18H2,1-6H3,(H,19,21)
InChIKeyAFTREDJCNQGRLD-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.59
Rot. Bonds5

About tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate

tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate (PubChem CID 102730533) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate
PubChem CID102730533
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate
SMILESCC1CC(C)C(C)N(C(CN)CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H35N3O2/c1-12-9-13(2)14(3)20(11-12)15(10-18)7-8-19-16(21)22-17(4,5)6/h12-15H,7-11,18H2,1-6H3,(H,19,21)
InChIKeyAFTREDJCNQGRLD-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

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Related Compounds

tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate
CID 102729464
tert-butyl N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-aminobutyl]carbamate
CID 102730168
tert-butyl N-[4-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butyl]carbamate
CID 102730293
tert-butyl N-[4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butyl]carbamate
CID 102730006
tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate
CID 102729770
tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate
CID 102730052
tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate
CID 102730289
tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate
CID 102730540
tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689282
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate
CID 102730201
tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
CID 102729511

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate (CID 102730533) is tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate is CC1CC(C)C(C)N(C(CN)CCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate?
The InChIKey is AFTREDJCNQGRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-12-9-13(2)14(3)20(11-12)15(10-18)7-8-19-16(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-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate?
tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]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-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate is sourced from PubChem (CID 102730533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).