2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium

C17H25N2O+ — CID 102033783

IUPAC2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium
SMILESCC(C[N+](C)(C)C)Oc1ccc2cc(CN)ccc2c1
InChIInChI=1S/C17H25N2O/c1-13(12-19(2,3)4)20-17-8-7-15-9-14(11-18)5-6-16(15)10-17/h5-10,13H,11-12,18H2,1-4H3/q+1
InChIKeyJYPVKRPJNDDYFD-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.77
Rot. Bonds5

About 2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium

2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium (PubChem CID 102033783) has the molecular formula C17H25N2O+ and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium.

Molecular Properties

Compound Name2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium
PubChem CID102033783
Molecular FormulaC17H25N2O+
Molecular Weight273.40 g/mol
Exact Mass273.20
IUPAC Name2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium
SMILESCC(C[N+](C)(C)C)Oc1ccc2cc(CN)ccc2c1
InChIInChI=1S/C17H25N2O/c1-13(12-19(2,3)4)20-17-8-7-15-9-14(11-18)5-6-16(15)10-17/h5-10,13H,11-12,18H2,1-4H3/q+1
InChIKeyJYPVKRPJNDDYFD-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
4-naphthalen-2-yloxypentan-1-amine
CID 55076664
pentacen-2-ylmethanamine
CID 162482734
3-[3-(aminomethyl)phenoxy]butanenitrile
CID 106485040
2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
CID 18367588
4-naphthalen-2-yloxypentan-2-ol
CID 64720616
2-(3,4-dimethylphenoxy)propan-1-amine
CID 17169740
3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 82037287
6-butan-2-yloxynaphthalene-2-sulfonyl chloride
CID 135175462
[4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine
CID 82120361
7-butan-2-yloxynaphthalen-2-ol
CID 43143670
(6-methoxynaphthalen-2-yl)methanethiol
CID 79884829

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium?
The IUPAC name of 2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium (CID 102033783) is 2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium.
What is the SMILES notation for 2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium?
The canonical SMILES for 2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium is CC(C[N+](C)(C)C)Oc1ccc2cc(CN)ccc2c1.
What is the InChIKey of 2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium?
The InChIKey is JYPVKRPJNDDYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N2O/c1-13(12-19(2,3)4)20-17-8-7-15-9-14(11-18)5-6-16(15)10-17/h5-10,13H,11-12,18H2,1-4H3/q+1.
What are the key properties of 2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium?
2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium has a molecular weight of 273.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)naphthalen-2-yl]oxypropyl-trimethylazanium is sourced from PubChem (CID 102033783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).