tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate

C18H29N3O2 — CID 103768694

IUPACtert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate
SMILESCc1ccc(CNC(C)(CNC(=O)OC(C)(C)C)C2CC2)nc1
InChIInChI=1S/C18H29N3O2/c1-13-6-9-15(19-10-13)11-21-18(5,14-7-8-14)12-20-16(22)23-17(2,3)4/h6,9-10,14,21H,7-8,11-12H2,1-5H3,(H,20,22)
InChIKeyQAGZEZIUWMCCJX-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.17
Rot. Bonds6

About tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate

tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate (PubChem CID 103768694) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate
PubChem CID103768694
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate
SMILESCc1ccc(CNC(C)(CNC(=O)OC(C)(C)C)C2CC2)nc1
InChIInChI=1S/C18H29N3O2/c1-13-6-9-15(19-10-13)11-21-18(5,14-7-8-14)12-20-16(22)23-17(2,3)4/h6,9-10,14,21H,7-8,11-12H2,1-5H3,(H,20,22)
InChIKeyQAGZEZIUWMCCJX-UHFFFAOYSA-N
XLogP3.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 107252088
tert-butyl N-[2-cyclopropyl-2-(ethylamino)propyl]carbamate
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tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
CID 124509244
tert-butyl N-[2-cyclopropyl-2-(1H-pyrazol-5-ylmethylamino)propyl]carbamate
CID 103740233
tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate
CID 103740239
tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate
CID 154762882
tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate
CID 107252087
tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate
CID 103790504
tert-butyl N-[2-cyclopropyl-2-[(2-nitrophenyl)methylamino]propyl]carbamate
CID 113256670
tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate
CID 103761015
tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate
CID 95329318
tert-butyl 2-methyl-3-[(5-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 104954209

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate (CID 103768694) is tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate is Cc1ccc(CNC(C)(CNC(=O)OC(C)(C)C)C2CC2)nc1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate?
The InChIKey is QAGZEZIUWMCCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13-6-9-15(19-10-13)11-21-18(5,14-7-8-14)12-20-16(22)23-17(2,3)4/h6,9-10,14,21H,7-8,11-12H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate is sourced from PubChem (CID 103768694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).