N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine

C25H39NO — CID 10451764

IUPACN-(3-naphthalen-2-yloxypropyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNCCCOc1ccc2ccccc2c1
InChIInChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-13-19-26-20-14-21-27-25-18-17-23-15-11-12-16-24(23)22-25/h11-12,15-18,22,26H,2-10,13-14,19-21H2,1H3
InChIKeyXIGGBCHSQLIRPO-UHFFFAOYSA-N
MW369.59 g/mol
LogP7.12
Rot. Bonds16

About N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine

N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine (PubChem CID 10451764) has the molecular formula C25H39NO and a molecular weight of 369.59 g/mol. Its IUPAC name is N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-yloxypropyl)dodecan-1-amine
PubChem CID10451764
Molecular FormulaC25H39NO
Molecular Weight369.59 g/mol
Exact Mass369.30
IUPAC NameN-(3-naphthalen-2-yloxypropyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNCCCOc1ccc2ccccc2c1
InChIInChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-13-19-26-20-14-21-27-25-18-17-23-15-11-12-16-24(23)22-25/h11-12,15-18,22,26H,2-10,13-14,19-21H2,1H3
InChIKeyXIGGBCHSQLIRPO-UHFFFAOYSA-N
XLogP7.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 57.12
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

N-(2-methylpropyl)-5-naphthalen-2-yloxypentan-1-amine
CID 63498763
N-[3-(3-methylphenoxy)propyl]hexan-1-amine
CID 82097595
N-[2-(3-methylphenoxy)ethyl]heptan-1-amine
CID 54797484
4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine
CID 10064569
N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine
CID 60661709
N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
CID 55195709
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
CID 63516360
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
N-(5-naphthalen-2-yloxypentyl)acetamide
CID 175828319
1-(2-naphthalen-2-yloxyethyl)-3-propylurea
CID 95904010
N-propyl-6-quinolin-3-yloxyhexan-1-amine
CID 107387874
N-butyl-6-(3-methylphenoxy)hexan-1-amine
CID 2249508

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine?
The IUPAC name of N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine (CID 10451764) is N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine.
What is the SMILES notation for N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine?
The canonical SMILES for N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine is CCCCCCCCCCCCNCCCOc1ccc2ccccc2c1.
What is the InChIKey of N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine?
The InChIKey is XIGGBCHSQLIRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-13-19-26-20-14-21-27-25-18-17-23-15-11-12-16-24(23)22-25/h11-12,15-18,22,26H,2-10,13-14,19-21H2,1H3.
What are the key properties of N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine?
N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine has a molecular weight of 369.59 g/mol, XLogP of 7.12, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine is sourced from PubChem (CID 10451764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).