tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate

C17H29N3O2 — CID 107245661

IUPACtert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C(C)C)c1ccccn1
InChIInChI=1S/C17H29N3O2/c1-13(2)20(16(21)22-17(4,5)6)12-11-18-14(3)15-9-7-8-10-19-15/h7-10,13-14,18H,11-12H2,1-6H3
InChIKeyOJUYYKJAALVZRB-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.38
Rot. Bonds6

About tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate

tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate (PubChem CID 107245661) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate
PubChem CID107245661
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Nametert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C(C)C)c1ccccn1
InChIInChI=1S/C17H29N3O2/c1-13(2)20(16(21)22-17(4,5)6)12-11-18-14(3)15-9-7-8-10-19-15/h7-10,13-14,18H,11-12H2,1-6H3
InChIKeyOJUYYKJAALVZRB-UHFFFAOYSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245596
tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate
CID 103878440
tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245604
tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81402004
N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
CID 113343834
methyl 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoate
CID 81407588
methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401680
tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107245927
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
tert-butyl 4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175773

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate (CID 107245661) is tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate is CC(NCCN(C(=O)OC(C)(C)C)C(C)C)c1ccccn1.
What is the InChIKey of tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate?
The InChIKey is OJUYYKJAALVZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)20(16(21)22-17(4,5)6)12-11-18-14(3)15-9-7-8-10-19-15/h7-10,13-14,18H,11-12H2,1-6H3.
What are the key properties of tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate?
tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate has a molecular weight of 307.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate is sourced from PubChem (CID 107245661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).