tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate

C15H25N3O2 — CID 103647372

IUPACtert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate
SMILESCN(CCCNCc1cccnc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18(4)10-6-9-17-12-13-7-5-8-16-11-13/h5,7-8,11,17H,6,9-10,12H2,1-4H3
InChIKeyOXMBZYLMVOCMTK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.43
Rot. Bonds6

About tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate

tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate (PubChem CID 103647372) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate
PubChem CID103647372
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate
SMILESCN(CCCNCc1cccnc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18(4)10-6-9-17-12-13-7-5-8-16-11-13/h5,7-8,11,17H,6,9-10,12H2,1-4H3
InChIKeyOXMBZYLMVOCMTK-UHFFFAOYSA-N
XLogP2.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]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-methyl-N-[3-(1-pyridin-3-ylethylamino)propyl]carbamate
CID 103894812
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate
CID 68692643
tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate
CID 103792918
tert-butyl N-[(4S)-4-chloro-4-pyridin-3-ylbutyl]-N-methylcarbamate
CID 163661402
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
3-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]propanoic acid
CID 118973522
tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
CID 103699064
tert-butyl N-[4-[methyl(pyridin-3-ylmethyl)amino]-4-oxobutyl]carbamate
CID 86907873
tert-butyl N-[(4S)-4-chloro-4-pyridin-3-ylbutyl]-N-methylcarbamate;tert-butyl N-[(4S)-4-hydroxy-4-pyridin-3-ylbutyl]-N-methylcarbamate
CID 165093627
tert-butyl N-methyl-N-[2-(1-pyridin-3-ylethylcarbamoylamino)ethyl]carbamate
CID 56827108
tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate
CID 107444459
tert-butyl N-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953299

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate (CID 103647372) is tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate is CN(CCCNCc1cccnc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate?
The InChIKey is OXMBZYLMVOCMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18(4)10-6-9-17-12-13-7-5-8-16-11-13/h5,7-8,11,17H,6,9-10,12H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate?
tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 103647372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).