[1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol

C23H28N2O3 — CID 163726318

IUPAC[1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol
SMILESCCCCN(CCCOc1c(C(O)O)ccc2ccccc12)c1ccccn1
InChIInChI=1S/C23H28N2O3/c1-2-3-15-25(21-11-6-7-14-24-21)16-8-17-28-22-19-10-5-4-9-18(19)12-13-20(22)23(26)27/h4-7,9-14,23,26-27H,2-3,8,15-17H2,1H3
InChIKeyKVXANCQSUCKQJR-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.29
Rot. Bonds10

About [1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol

[1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol (PubChem CID 163726318) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is [1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol.

Molecular Properties

Compound Name[1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol
PubChem CID163726318
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name[1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol
SMILESCCCCN(CCCOc1c(C(O)O)ccc2ccccc12)c1ccccn1
InChIInChI=1S/C23H28N2O3/c1-2-3-15-25(21-11-6-7-14-24-21)16-8-17-28-22-19-10-5-4-9-18(19)12-13-20(22)23(26)27/h4-7,9-14,23,26-27H,2-3,8,15-17H2,1H3
InChIKeyKVXANCQSUCKQJR-UHFFFAOYSA-N
XLogP4.29
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-propylpyridin-2-amine
CID 138339518
(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol
CID 78944606
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CID 78933650
4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid
CID 25109388
(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol
CID 63365341
N,N-dibutylquinolin-2-amine
CID 125488581
1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethanol
CID 43504354
(1R)-1-[1-(2-fluoroethoxy)naphthalen-2-yl]ethanol
CID 80694280
(1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol
CID 107007499
(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
CID 114055796
(1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol
CID 79014754
2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol
CID 55212591

Frequently Asked Questions

What is the IUPAC name of [1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol?
The IUPAC name of [1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol (CID 163726318) is [1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol.
What is the SMILES notation for [1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol?
The canonical SMILES for [1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol is CCCCN(CCCOc1c(C(O)O)ccc2ccccc12)c1ccccn1.
What is the InChIKey of [1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol?
The InChIKey is KVXANCQSUCKQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-3-15-25(21-11-6-7-14-24-21)16-8-17-28-22-19-10-5-4-9-18(19)12-13-20(22)23(26)27/h4-7,9-14,23,26-27H,2-3,8,15-17H2,1H3.
What are the key properties of [1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol?
[1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol has a molecular weight of 380.49 g/mol, XLogP of 4.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol is sourced from PubChem (CID 163726318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).