N-(2-butoxyethyl)-1-pyridin-3-ylethanamine

C13H22N2O — CID 61171825

IUPACN-(2-butoxyethyl)-1-pyridin-3-ylethanamine
SMILESCCCCOCCNC(C)c1cccnc1
InChIInChI=1S/C13H22N2O/c1-3-4-9-16-10-8-15-12(2)13-6-5-7-14-11-13/h5-7,11-12,15H,3-4,8-10H2,1-2H3
InChIKeyNZPSROLQEPPSHP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.55
Rot. Bonds8

About N-(2-butoxyethyl)-1-pyridin-3-ylethanamine

N-(2-butoxyethyl)-1-pyridin-3-ylethanamine (PubChem CID 61171825) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-pyridin-3-ylethanamine
PubChem CID61171825
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(2-butoxyethyl)-1-pyridin-3-ylethanamine
SMILESCCCCOCCNC(C)c1cccnc1
InChIInChI=1S/C13H22N2O/c1-3-4-9-16-10-8-15-12(2)13-6-5-7-14-11-13/h5-7,11-12,15H,3-4,8-10H2,1-2H3
InChIKeyNZPSROLQEPPSHP-UHFFFAOYSA-N
XLogP2.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine
CID 81404326
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine
CID 81361060
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726
3-(furan-2-ylmethoxy)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43205758
2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 55092985
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-pyridin-3-ylethanamine?
The IUPAC name of N-(2-butoxyethyl)-1-pyridin-3-ylethanamine (CID 61171825) is N-(2-butoxyethyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-(2-butoxyethyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for N-(2-butoxyethyl)-1-pyridin-3-ylethanamine is CCCCOCCNC(C)c1cccnc1.
What is the InChIKey of N-(2-butoxyethyl)-1-pyridin-3-ylethanamine?
The InChIKey is NZPSROLQEPPSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-4-9-16-10-8-15-12(2)13-6-5-7-14-11-13/h5-7,11-12,15H,3-4,8-10H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-1-pyridin-3-ylethanamine?
N-(2-butoxyethyl)-1-pyridin-3-ylethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 61171825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).