N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine

C18H26N2O — CID 2182334

IUPACN',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
SMILESCN(C)CCCNCCCOc1cccc2ccccc12
InChIInChI=1S/C18H26N2O/c1-20(2)14-6-12-19-13-7-15-21-18-11-5-9-16-8-3-4-10-17(16)18/h3-5,8-11,19H,6-7,12-15H2,1-2H3
InChIKeyWFNABHBKRJYFEK-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.15
Rot. Bonds9

About N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine

N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine (PubChem CID 2182334) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
PubChem CID2182334
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
SMILESCN(C)CCCNCCCOc1cccc2ccccc12
InChIInChI=1S/C18H26N2O/c1-20(2)14-6-12-19-13-7-15-21-18-11-5-9-16-8-3-4-10-17(16)18/h3-5,8-11,19H,6-7,12-15H2,1-2H3
InChIKeyWFNABHBKRJYFEK-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-naphthalen-1-yloxybutan-1-amine
CID 2249724
N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 60686608
4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine
CID 2249610
N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine
CID 55244631
1-butoxynaphthalene
CID 13262700
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357
N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 2182565
N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine
CID 68911327
1-(3-chloropropoxy)naphthalene
CID 12685615
3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
CID 2183626
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine (CID 2182334) is N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine is CN(C)CCCNCCCOc1cccc2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine?
The InChIKey is WFNABHBKRJYFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-20(2)14-6-12-19-13-7-15-21-18-11-5-9-16-8-3-4-10-17(16)18/h3-5,8-11,19H,6-7,12-15H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine?
N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine has a molecular weight of 286.42 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine is sourced from PubChem (CID 2182334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).