5-naphthalen-2-yloxyheptan-1-amine

C17H23NO — CID 68866838

IUPAC5-naphthalen-2-yloxyheptan-1-amine
SMILESCCC(CCCCN)Oc1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c1-2-16(9-5-6-12-18)19-17-11-10-14-7-3-4-8-15(14)13-17/h3-4,7-8,10-11,13,16H,2,5-6,9,12,18H2,1H3
InChIKeyCTNSUTOHQONLEE-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.13
Rot. Bonds7

About 5-naphthalen-2-yloxyheptan-1-amine

5-naphthalen-2-yloxyheptan-1-amine (PubChem CID 68866838) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-naphthalen-2-yloxyheptan-1-amine.

Molecular Properties

Compound Name5-naphthalen-2-yloxyheptan-1-amine
PubChem CID68866838
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name5-naphthalen-2-yloxyheptan-1-amine
SMILESCCC(CCCCN)Oc1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c1-2-16(9-5-6-12-18)19-17-11-10-14-7-3-4-8-15(14)13-17/h3-4,7-8,10-11,13,16H,2,5-6,9,12,18H2,1H3
InChIKeyCTNSUTOHQONLEE-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.13
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

4-naphthalen-2-yloxypentan-1-amine
CID 55076664
5-amino-2-naphthalen-2-yloxypentanoic acid
CID 112514781
(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride
CID 11609028
naphthalen-2-yl 2-[(2-acetamidoacetyl)amino]-6-aminohexanoate
CID 45157636
(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
CID 171220846
3-[11,11-bis(3-aminophenoxy)undecan-3-yloxy]aniline
CID 172741204
3-(4-bromophenoxy)pentan-1-amine
CID 43531083
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
1-(hexylamino)-4-naphthalen-2-yloxyhexan-2-ol
CID 19767612
naphthalen-2-yl (2S)-6-amino-2-[(4-methylphenyl)sulfonylamino]hexanoate
CID 3036622
(2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide
CID 131850210
N-hydroxy-2-naphthalen-2-yloxyundecanamide
CID 14032482

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yloxyheptan-1-amine?
The IUPAC name of 5-naphthalen-2-yloxyheptan-1-amine (CID 68866838) is 5-naphthalen-2-yloxyheptan-1-amine.
What is the SMILES notation for 5-naphthalen-2-yloxyheptan-1-amine?
The canonical SMILES for 5-naphthalen-2-yloxyheptan-1-amine is CCC(CCCCN)Oc1ccc2ccccc2c1.
What is the InChIKey of 5-naphthalen-2-yloxyheptan-1-amine?
The InChIKey is CTNSUTOHQONLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-16(9-5-6-12-18)19-17-11-10-14-7-3-4-8-15(14)13-17/h3-4,7-8,10-11,13,16H,2,5-6,9,12,18H2,1H3.
What are the key properties of 5-naphthalen-2-yloxyheptan-1-amine?
5-naphthalen-2-yloxyheptan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yloxyheptan-1-amine is sourced from PubChem (CID 68866838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).