tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate

C13H21N3O2 — CID 139022435

IUPACtert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CCCN)cn1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-11-7-6-10(9-15-11)5-4-8-14/h6-7,9H,4-5,8,14H2,1-3H3,(H,15,16,17)
InChIKeyWMSKLQRFXIQIQE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.32
Rot. Bonds4

About tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate

tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate (PubChem CID 139022435) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate
PubChem CID139022435
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nametert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CCCN)cn1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-11-7-6-10(9-15-11)5-4-8-14/h6-7,9H,4-5,8,14H2,1-3H3,(H,15,16,17)
InChIKeyWMSKLQRFXIQIQE-UHFFFAOYSA-N
XLogP2.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzylamino)pyridine
CID 23362
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707
ethyl N-[(2S)-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 459876
1-(4-Fluorophenyl)-3-(5-methylpyridin-2-yl)urea
CID 701006
2-(Boc-amino)pyridine
CID 11206349
2-(N-Boc-Amino)-3-methylpyridine
CID 11745848
4-phenyl-N-(2-pyridinyl)butanamide
CID 836507
N-(5-methylpyridin-2-yl)-4-phenylbutanamide
CID 838086
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18107076
1-(4-Fluorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 708788

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate (CID 139022435) is tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CCCN)cn1.
What is the InChIKey of tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate?
The InChIKey is WMSKLQRFXIQIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-11-7-6-10(9-15-11)5-4-8-14/h6-7,9H,4-5,8,14H2,1-3H3,(H,15,16,17).
What are the key properties of tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate?
tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(3-aminopropyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 139022435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).