4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride

C13H24Cl2N2O — CID 17207022

IUPAC4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride
SMILESCOCCCNCc1ccc(N(C)C)cc1.Cl.Cl
InChIInChI=1S/C13H22N2O.2ClH/c1-15(2)13-7-5-12(6-8-13)11-14-9-4-10-16-3;;/h5-8,14H,4,9-11H2,1-3H3;2*1H
InChIKeySAQMECLRANOWTE-UHFFFAOYSA-N
MW295.25 g/mol
LogP2.72
Rot. Bonds7

About 4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride

4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride (PubChem CID 17207022) has the molecular formula C13H24Cl2N2O and a molecular weight of 295.25 g/mol. Its IUPAC name is 4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride.

Molecular Properties

Compound Name4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride
PubChem CID17207022
Molecular FormulaC13H24Cl2N2O
Molecular Weight295.25 g/mol
Exact Mass294.13
IUPAC Name4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride
SMILESCOCCCNCc1ccc(N(C)C)cc1.Cl.Cl
InChIInChI=1S/C13H22N2O.2ClH/c1-15(2)13-7-5-12(6-8-13)11-14-9-4-10-16-3;;/h5-8,14H,4,9-11H2,1-3H3;2*1H
InChIKeySAQMECLRANOWTE-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 3029600
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride
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N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride
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3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate
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N-(3-methoxypropyl)-N-methyl-4-(propylaminomethyl)aniline
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N,N-dimethyl-4-[(4,4,4-trifluorobutylamino)methyl]aniline
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3-methoxy-N-[(4-methylsulfinylphenyl)methyl]propan-1-amine
CID 115685471
N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
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2-[[4-(dimethylamino)phenyl]methylamino]ethyl acetate
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N'-benzyl-N-(3-methoxypropyl)ethane-1,2-diamine;carbanide;methoxymethane;uranium(2+)
CID 169243785

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride?
The IUPAC name of 4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride (CID 17207022) is 4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride.
What is the SMILES notation for 4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride?
The canonical SMILES for 4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride is COCCCNCc1ccc(N(C)C)cc1.Cl.Cl.
What is the InChIKey of 4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride?
The InChIKey is SAQMECLRANOWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.2ClH/c1-15(2)13-7-5-12(6-8-13)11-14-9-4-10-16-3;;/h5-8,14H,4,9-11H2,1-3H3;2*1H.
What are the key properties of 4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride?
4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride has a molecular weight of 295.25 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride is sourced from PubChem (CID 17207022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).