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

C16H27N3O2 — CID 107250095

IUPACtert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate
SMILESCCC(CNC(C)c1ccncc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O2/c1-6-14(19-15(20)21-16(3,4)5)11-18-12(2)13-7-9-17-10-8-13/h7-10,12,14,18H,6,11H2,1-5H3,(H,19,20)
InChIKeyPPAPDEBUYYRNJJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.04
Rot. Bonds6

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

tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate (PubChem CID 107250095) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate
PubChem CID107250095
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate
SMILESCCC(CNC(C)c1ccncc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O2/c1-6-14(19-15(20)21-16(3,4)5)11-18-12(2)13-7-9-17-10-8-13/h7-10,12,14,18H,6,11H2,1-5H3,(H,19,20)
InChIKeyPPAPDEBUYYRNJJ-UHFFFAOYSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-[1-(3-bromophenyl)ethylamino]butan-2-yl]carbamate
CID 107250353
tert-butyl N-[1-[1-(3-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 107250672
tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
CID 107250270
tert-butyl N-[1-[1-(1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
CID 107250501
tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]butan-2-yl]carbamate
CID 107250123
tert-butyl N-(1-pyridin-4-ylethylamino)carbamate
CID 16732605
tert-butyl N-[1-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 107250497
tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate
CID 107250414
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol
CID 115880427
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830
tert-butyl N-[1-[1-(3-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107250522

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate (CID 107250095) is tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate is CCC(CNC(C)c1ccncc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate?
The InChIKey is PPAPDEBUYYRNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-6-14(19-15(20)21-16(3,4)5)11-18-12(2)13-7-9-17-10-8-13/h7-10,12,14,18H,6,11H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate?
tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 3.04, 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-pyridin-4-ylethylamino)butan-2-yl]carbamate is sourced from PubChem (CID 107250095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).