6-(naphthalen-2-ylmethoxy)hexan-1-amine

C17H23NO — CID 86078826

IUPAC6-(naphthalen-2-ylmethoxy)hexan-1-amine
SMILESNCCCCCCOCc1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c18-11-5-1-2-6-12-19-14-15-9-10-16-7-3-4-8-17(16)13-15/h3-4,7-10,13H,1-2,5-6,11-12,14,18H2
InChIKeyLXPMWGHUXJLHCW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.88
Rot. Bonds8

About 6-(naphthalen-2-ylmethoxy)hexan-1-amine

6-(naphthalen-2-ylmethoxy)hexan-1-amine (PubChem CID 86078826) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 6-(naphthalen-2-ylmethoxy)hexan-1-amine.

Molecular Properties

Compound Name6-(naphthalen-2-ylmethoxy)hexan-1-amine
PubChem CID86078826
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name6-(naphthalen-2-ylmethoxy)hexan-1-amine
SMILESNCCCCCCOCc1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c18-11-5-1-2-6-12-19-14-15-9-10-16-7-3-4-8-17(16)13-15/h3-4,7-10,13H,1-2,5-6,11-12,14,18H2
InChIKeyLXPMWGHUXJLHCW-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(octoxymethyl)naphthalene
CID 101192870
6-[(4-phenylphenyl)methoxy]hexan-1-amine
CID 22237387
2-(ethoxymethyl)naphthalene
CID 11063138
N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
CID 59231415
1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene
CID 91406926
5-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 54966297
2-(naphthalen-2-ylmethoxy)ethyl carbamimidate
CID 163811315
16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
CID 176835378
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
6-(pyren-1-ylmethoxy)hexan-1-amine
CID 59846991
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469

Frequently Asked Questions

What is the IUPAC name of 6-(naphthalen-2-ylmethoxy)hexan-1-amine?
The IUPAC name of 6-(naphthalen-2-ylmethoxy)hexan-1-amine (CID 86078826) is 6-(naphthalen-2-ylmethoxy)hexan-1-amine.
What is the SMILES notation for 6-(naphthalen-2-ylmethoxy)hexan-1-amine?
The canonical SMILES for 6-(naphthalen-2-ylmethoxy)hexan-1-amine is NCCCCCCOCc1ccc2ccccc2c1.
What is the InChIKey of 6-(naphthalen-2-ylmethoxy)hexan-1-amine?
The InChIKey is LXPMWGHUXJLHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c18-11-5-1-2-6-12-19-14-15-9-10-16-7-3-4-8-17(16)13-15/h3-4,7-10,13H,1-2,5-6,11-12,14,18H2.
What are the key properties of 6-(naphthalen-2-ylmethoxy)hexan-1-amine?
6-(naphthalen-2-ylmethoxy)hexan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(naphthalen-2-ylmethoxy)hexan-1-amine is sourced from PubChem (CID 86078826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).