tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate

C15H32N4O2 — CID 102729450

IUPACtert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate
SMILESCN1CCC(N(C)C(CN)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H32N4O2/c1-15(2,3)21-14(20)17-11-13(10-16)19(5)12-6-8-18(4)9-7-12/h12-13H,6-11,16H2,1-5H3,(H,17,20)
InChIKeyOWSREAWGTCYAEP-UHFFFAOYSA-N
MW300.45 g/mol
LogP0.86
Rot. Bonds5

About tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate

tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate (PubChem CID 102729450) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate
PubChem CID102729450
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC Nametert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate
SMILESCN1CCC(N(C)C(CN)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H32N4O2/c1-15(2,3)21-14(20)17-11-13(10-16)19(5)12-6-8-18(4)9-7-12/h12-13H,6-11,16H2,1-5H3,(H,17,20)
InChIKeyOWSREAWGTCYAEP-UHFFFAOYSA-N
XLogP0.86
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
CID 102729530
tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
CID 102730486
tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate
CID 102729795
tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate
CID 102729991
tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate
CID 102729861
tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate
CID 102730363
tert-butyl N-[4-amino-3-[methyl(thiolan-3-yl)amino]butyl]carbamate
CID 102729571
tert-butyl N-(3-amino-2-cyclopropylpropyl)carbamate
CID 84723673
tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate
CID 102729846
tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate
CID 102730487
tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate
CID 102730275
tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
CID 102729414

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate (CID 102729450) is tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate is CN1CCC(N(C)C(CN)CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate?
The InChIKey is OWSREAWGTCYAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2/c1-15(2,3)21-14(20)17-11-13(10-16)19(5)12-6-8-18(4)9-7-12/h12-13H,6-11,16H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate?
tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate has a molecular weight of 300.45 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate is sourced from PubChem (CID 102729450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).