tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate

C16H34N4O2 — CID 102729991

IUPACtert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate
SMILESCN1CCCC(N(C)C(CN)CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H34N4O2/c1-16(2,3)22-15(21)18-9-8-13(11-17)20(5)14-7-6-10-19(4)12-14/h13-14H,6-12,17H2,1-5H3,(H,18,21)
InChIKeyQAGANMCKJQCISM-UHFFFAOYSA-N
MW314.47 g/mol
LogP1.25
Rot. Bonds6

About tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate

tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate (PubChem CID 102729991) has the molecular formula C16H34N4O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate
PubChem CID102729991
Molecular FormulaC16H34N4O2
Molecular Weight314.47 g/mol
Exact Mass314.27
IUPAC Nametert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate
SMILESCN1CCCC(N(C)C(CN)CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H34N4O2/c1-16(2,3)22-15(21)18-9-8-13(11-17)20(5)14-7-6-10-19(4)12-14/h13-14H,6-12,17H2,1-5H3,(H,18,21)
InChIKeyQAGANMCKJQCISM-UHFFFAOYSA-N
XLogP1.25
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-amino-3-[methyl(thiolan-3-yl)amino]butyl]carbamate
CID 102729571
tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate
CID 102729450
tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
CID 102730486
tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate
CID 107397726
tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
CID 102729530
tert-butyl N-[4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butyl]carbamate
CID 102730006
tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate
CID 102729795
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-[bis(2-methylpropyl)amino]butyl]carbamate
CID 102729674
tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate
CID 102730052
tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate
CID 130935352
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate (CID 102729991) is tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate is CN1CCCC(N(C)C(CN)CCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate?
The InChIKey is QAGANMCKJQCISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O2/c1-16(2,3)22-15(21)18-9-8-13(11-17)20(5)14-7-6-10-19(4)12-14/h13-14H,6-12,17H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate?
tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate is sourced from PubChem (CID 102729991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).