N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride

C18H28Cl2N2O — CID 17215613

IUPACN'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
SMILESCCNCCCNCc1c(OCC)ccc2ccccc12.Cl.Cl
InChIInChI=1S/C18H26N2O.2ClH/c1-3-19-12-7-13-20-14-17-16-9-6-5-8-15(16)10-11-18(17)21-4-2;;/h5-6,8-11,19-20H,3-4,7,12-14H2,1-2H3;2*1H
InChIKeyDIHCIFCNKJNIIT-UHFFFAOYSA-N
MW359.34 g/mol
LogP4.17
Rot. Bonds9

About N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride

N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride (PubChem CID 17215613) has the molecular formula C18H28Cl2N2O and a molecular weight of 359.34 g/mol. Its IUPAC name is N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
PubChem CID17215613
Molecular FormulaC18H28Cl2N2O
Molecular Weight359.34 g/mol
Exact Mass358.16
IUPAC NameN'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
SMILESCCNCCCNCc1c(OCC)ccc2ccccc12.Cl.Cl
InChIInChI=1S/C18H26N2O.2ClH/c1-3-19-12-7-13-20-14-17-16-9-6-5-8-15(16)10-11-18(17)21-4-2;;/h5-6,8-11,19-20H,3-4,7,12-14H2,1-2H3;2*1H
InChIKeyDIHCIFCNKJNIIT-UHFFFAOYSA-N
XLogP4.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209000
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215574
3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 102536565
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332522
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride
CID 6603331
N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531940
N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine
CID 44561364
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride?
The IUPAC name of N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride (CID 17215613) is N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride is CCNCCCNCc1c(OCC)ccc2ccccc12.Cl.Cl.
What is the InChIKey of N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride?
The InChIKey is DIHCIFCNKJNIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.2ClH/c1-3-19-12-7-13-20-14-17-16-9-6-5-8-15(16)10-11-18(17)21-4-2;;/h5-6,8-11,19-20H,3-4,7,12-14H2,1-2H3;2*1H.
What are the key properties of N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride?
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride has a molecular weight of 359.34 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 17215613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).