tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate

C17H29N3O2 — CID 103878440

IUPACtert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate
SMILESCCN(CCCNC(C)c1ccccn1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H29N3O2/c1-6-20(16(21)22-17(3,4)5)13-9-12-18-14(2)15-10-7-8-11-19-15/h7-8,10-11,14,18H,6,9,12-13H2,1-5H3
InChIKeyLNOUEPIIWSRWGD-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.38
Rot. Bonds7

About tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate

tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate (PubChem CID 103878440) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate
PubChem CID103878440
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Nametert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate
SMILESCCN(CCCNC(C)c1ccccn1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H29N3O2/c1-6-20(16(21)22-17(3,4)5)13-9-12-18-14(2)15-10-7-8-11-19-15/h7-8,10-11,14,18H,6,9,12-13H2,1-5H3
InChIKeyLNOUEPIIWSRWGD-UHFFFAOYSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

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

Analyze tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)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-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate
CID 107245661
tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate
CID 107242692
tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate
CID 103781324
tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862
tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate
CID 107242750
tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81402004
tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-2-ylpentyl]carbamate
CID 67671661
N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
CID 113343834
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate
CID 103913902
tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate
CID 70848374
tert-butyl N-ethyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-(tritylamino)propyl]amino]butyl]carbamate
CID 101096516

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate (CID 103878440) is tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate is CCN(CCCNC(C)c1ccccn1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate?
The InChIKey is LNOUEPIIWSRWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-6-20(16(21)22-17(3,4)5)13-9-12-18-14(2)15-10-7-8-11-19-15/h7-8,10-11,14,18H,6,9,12-13H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate?
tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate has a molecular weight of 307.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate is sourced from PubChem (CID 103878440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).