tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate

C14H21N3O2 — CID 67390801

IUPACtert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2(N)CC2)nc1
InChIInChI=1S/C14H21N3O2/c1-13(2,3)19-12(18)17-9-10-4-5-11(16-8-10)14(15)6-7-14/h4-5,8H,6-7,9,15H2,1-3H3,(H,17,18)
InChIKeyBRXFFJQIRAPDPP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.05
Rot. Bonds3

About tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate

tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate (PubChem CID 67390801) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate
PubChem CID67390801
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nametert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2(N)CC2)nc1
InChIInChI=1S/C14H21N3O2/c1-13(2,3)19-12(18)17-9-10-4-5-11(16-8-10)14(15)6-7-14/h4-5,8H,6-7,9,15H2,1-3H3,(H,17,18)
InChIKeyBRXFFJQIRAPDPP-UHFFFAOYSA-N
XLogP2.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
tert-butyl N-[(6-methylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546552
tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546900
tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate
CID 174275722
N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane
CID 143812055
tert-butyl N-[(6-bromo-3-pyridinyl)methyl]carbamate;oxane
CID 146014726
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
tert-butyl 4-amino-4-[(6-chloro-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate
CID 89263780
tert-butyl 4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]piperazine-1-carboxylate
CID 102546803
1-(5-ethyl-2-pyridinyl)cyclopropan-1-amine
CID 91548907
tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate
CID 170765076
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate (CID 67390801) is tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C2(N)CC2)nc1.
What is the InChIKey of tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate?
The InChIKey is BRXFFJQIRAPDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-13(2,3)19-12(18)17-9-10-4-5-11(16-8-10)14(15)6-7-14/h4-5,8H,6-7,9,15H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate?
tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 67390801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).