N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride

C15H27Cl2N3O — CID 119383699

IUPACN-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride
SMILESCCN(Cc1ccc(C(=O)NCCN)cc1)C(C)C.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-4-18(12(2)3)11-13-5-7-14(8-6-13)15(19)17-10-9-16;;/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19);2*1H
InChIKeyRTZMJKJUTKGGSX-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.45
Rot. Bonds7

About N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride

N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride (PubChem CID 119383699) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride
PubChem CID119383699
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC NameN-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride
SMILESCCN(Cc1ccc(C(=O)NCCN)cc1)C(C)C.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-4-18(12(2)3)11-13-5-7-14(8-6-13)15(19)17-10-9-16;;/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19);2*1H
InChIKeyRTZMJKJUTKGGSX-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]benzoic acid
CID 119353542
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783
4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 63573274
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557132
acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide
CID 67918850
N-[(3S)-1,1-dioxothiolan-3-yl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 94822687
N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 86878011
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 111459679
N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 167972606
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 86938735

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride (CID 119383699) is N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride is CCN(Cc1ccc(C(=O)NCCN)cc1)C(C)C.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride?
The InChIKey is RTZMJKJUTKGGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-4-18(12(2)3)11-13-5-7-14(8-6-13)15(19)17-10-9-16;;/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19);2*1H.
What are the key properties of N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride?
N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119383699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).