N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine

C22H26N2O — CID 54849210

IUPACN-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCCCCCOc1ccc2ccccc2c1CNCc1cccnc1
InChIInChI=1S/C22H26N2O/c1-2-3-6-14-25-22-12-11-19-9-4-5-10-20(19)21(22)17-24-16-18-8-7-13-23-15-18/h4-5,7-13,15,24H,2-3,6,14,16-17H2,1H3
InChIKeyQTZSZXSKMASQQA-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.09
Rot. Bonds9

About N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine

N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 54849210) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID54849210
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCCCCCOc1ccc2ccccc2c1CNCc1cccnc1
InChIInChI=1S/C22H26N2O/c1-2-3-6-14-25-22-12-11-19-9-4-5-10-20(19)21(22)17-24-16-18-8-7-13-23-15-18/h4-5,7-13,15,24H,2-3,6,14,16-17H2,1H3
InChIKeyQTZSZXSKMASQQA-UHFFFAOYSA-N
XLogP5.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.09
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

N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine
CID 54803956
N-tert-butyl-2-[1-[(pyridin-3-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053647
N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine
CID 54804162
N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 39369723
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849892
1-(3-butoxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39423559
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735

Frequently Asked Questions

What is the IUPAC name of N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine (CID 54849210) is N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine is CCCCCOc1ccc2ccccc2c1CNCc1cccnc1.
What is the InChIKey of N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is QTZSZXSKMASQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-3-6-14-25-22-12-11-19-9-4-5-10-20(19)21(22)17-24-16-18-8-7-13-23-15-18/h4-5,7-13,15,24H,2-3,6,14,16-17H2,1H3.
What are the key properties of N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine?
N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 334.46 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 54849210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).