tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate

C15H25N3O2 — CID 107250270

IUPACtert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
SMILESCCC(CNCc1ccncc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-5-13(18-14(19)20-15(2,3)4)11-17-10-12-6-8-16-9-7-12/h6-9,13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyLKVDDOPBTFYKGJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.47
Rot. Bonds6

About tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate

tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate (PubChem CID 107250270) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
PubChem CID107250270
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
SMILESCCC(CNCc1ccncc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-5-13(18-14(19)20-15(2,3)4)11-17-10-12-6-8-16-9-7-12/h6-9,13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyLKVDDOPBTFYKGJ-UHFFFAOYSA-N
XLogP2.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107250360
tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate
CID 107250095
tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate
CID 107250464
tert-butyl N-[1-[(3,5-dibromo-4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107741164
tert-butyl N-[1-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107250323
tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate
CID 107250395
tert-butyl N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]butan-2-yl]carbamate
CID 107250458
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
tert-butyl N-[1-[(3-bromo-4-chlorophenyl)methylamino]butan-2-yl]carbamate
CID 107250724
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
CID 14774475
tert-butyl N-[1-(2-phenylethylamino)butan-2-yl]carbamate
CID 107250176
tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate
CID 107250372

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate (CID 107250270) is tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate is CCC(CNCc1ccncc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate?
The InChIKey is LKVDDOPBTFYKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-13(18-14(19)20-15(2,3)4)11-17-10-12-6-8-16-9-7-12/h6-9,13,17H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate?
tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 2.47, 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-(pyridin-4-ylmethylamino)butan-2-yl]carbamate is sourced from PubChem (CID 107250270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).