tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate

C15H27N3O2 — CID 107250372

IUPACtert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate
SMILESCCC(CNCc1cccn1C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-6-12(17-14(19)20-15(2,3)4)10-16-11-13-8-7-9-18(13)5/h7-9,12,16H,6,10-11H2,1-5H3,(H,17,19)
InChIKeyAMLFPWISQBGNSY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.42
Rot. Bonds6

About tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate

tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate (PubChem CID 107250372) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate
PubChem CID107250372
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Nametert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate
SMILESCCC(CNCc1cccn1C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-6-12(17-14(19)20-15(2,3)4)10-16-11-13-8-7-9-18(13)5/h7-9,12,16H,6,10-11H2,1-5H3,(H,17,19)
InChIKeyAMLFPWISQBGNSY-UHFFFAOYSA-N
XLogP2.42
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
CID 107250270
tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107250360
tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate
CID 107250395
tert-butyl N-[1-(2-phenylethylamino)butan-2-yl]carbamate
CID 107250176
2-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]methyl]thiophen-2-yl]acetic acid
CID 107250155
tert-butyl N-[1-[(3,5-dibromo-4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107741164
tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate
CID 107250464
tert-butyl N-[1-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107250323
tert-butyl N-[1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-yl]carbamate
CID 107250505
tert-butyl N-[1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]butan-2-yl]carbamate
CID 107250486
tert-butyl N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]butan-2-yl]carbamate
CID 107250458
tert-butyl N-[1-[(3-bromo-4-chlorophenyl)methylamino]butan-2-yl]carbamate
CID 107250724

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate (CID 107250372) is tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate is CCC(CNCc1cccn1C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate?
The InChIKey is AMLFPWISQBGNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-12(17-14(19)20-15(2,3)4)10-16-11-13-8-7-9-18(13)5/h7-9,12,16H,6,10-11H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate?
tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate has a molecular weight of 281.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate is sourced from PubChem (CID 107250372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).