3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine

C19H28ClN3O2 — CID 18433344

IUPAC3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine
SMILESCC(C)NCCCOc1cccnc1.ClCCCOc1cccnc1
InChIInChI=1S/C11H18N2O.C8H10ClNO/c1-10(2)13-7-4-8-14-11-5-3-6-12-9-11;9-4-2-6-11-8-3-1-5-10-7-8/h3,5-6,9-10,13H,4,7-8H2,1-2H3;1,3,5,7H,2,4,6H2
InChIKeyGNJHHIFIASUJOZ-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.94
Rot. Bonds10

About 3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine

3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine (PubChem CID 18433344) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine.

Molecular Properties

Compound Name3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine
PubChem CID18433344
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine
SMILESCC(C)NCCCOc1cccnc1.ClCCCOc1cccnc1
InChIInChI=1S/C11H18N2O.C8H10ClNO/c1-10(2)13-7-4-8-14-11-5-3-6-12-9-11;9-4-2-6-11-8-3-1-5-10-7-8/h3,5-6,9-10,13H,4,7-8H2,1-2H3;1,3,5,7H,2,4,6H2
InChIKeyGNJHHIFIASUJOZ-UHFFFAOYSA-N
XLogP3.94
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine
CID 115720180
3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine
CID 62583458
2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide
CID 119060315
N-(2-pyridin-3-yloxyethyl)hexan-3-amine
CID 115905779
(1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 97232073
3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 2296967
N-ethyl-4-pyridin-3-yloxybutan-1-amine
CID 62451744
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
(1S)-1-(5-ethylfuran-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 97322477
3-(3-phenoxypropoxy)pyridine
CID 86195847
2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide
CID 119067728
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine?
The IUPAC name of 3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine (CID 18433344) is 3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine.
What is the SMILES notation for 3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine?
The canonical SMILES for 3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine is CC(C)NCCCOc1cccnc1.ClCCCOc1cccnc1.
What is the InChIKey of 3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine?
The InChIKey is GNJHHIFIASUJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C8H10ClNO/c1-10(2)13-7-4-8-14-11-5-3-6-12-9-11;9-4-2-6-11-8-3-1-5-10-7-8/h3,5-6,9-10,13H,4,7-8H2,1-2H3;1,3,5,7H,2,4,6H2.
What are the key properties of 3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine?
3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine has a molecular weight of 365.91 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine is sourced from PubChem (CID 18433344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).