4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride

C15H27Cl2N3O — CID 119852879

IUPAC4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
SMILESCCN(CC)Cc1cccc(NC(=O)CCCN)c1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-3-18(4-2)12-13-7-5-8-14(11-13)17-15(19)9-6-10-16;;/h5,7-8,11H,3-4,6,9-10,12,16H2,1-2H3,(H,17,19);2*1H
InChIKeyZIKCGZMSCKHRBW-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.05
Rot. Bonds8

About 4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride

4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride (PubChem CID 119852879) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
PubChem CID119852879
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC Name4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
SMILESCCN(CC)Cc1cccc(NC(=O)CCCN)c1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-3-18(4-2)12-13-7-5-8-14(11-13)17-15(19)9-6-10-16;;/h5,7-8,11H,3-4,6,9-10,12,16H2,1-2H3,(H,17,19);2*1H
InChIKeyZIKCGZMSCKHRBW-UHFFFAOYSA-N
XLogP3.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
CID 43711987
5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
CID 82851014
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119312069
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide
CID 61177892
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902624
N-[3-(diethylaminomethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55602062
4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide
CID 119324076

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride (CID 119852879) is 4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride is CCN(CC)Cc1cccc(NC(=O)CCCN)c1.Cl.Cl.
What is the InChIKey of 4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride?
The InChIKey is ZIKCGZMSCKHRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-3-18(4-2)12-13-7-5-8-14(11-13)17-15(19)9-6-10-16;;/h5,7-8,11H,3-4,6,9-10,12,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride?
4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 119852879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).