N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride

C19H33Cl2N3O2 — CID 119567915

IUPACN-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
SMILESCCN(CC)CCOc1ccc(C(=O)NC2(CN)CCCC2)cc1.Cl.Cl
InChIInChI=1S/C19H31N3O2.2ClH/c1-3-22(4-2)13-14-24-17-9-7-16(8-10-17)18(23)21-19(15-20)11-5-6-12-19;;/h7-10H,3-6,11-15,20H2,1-2H3,(H,21,23);2*1H
InChIKeyYMWOZLLMKPLIAY-UHFFFAOYSA-N
MW406.40 g/mol
LogP3.25
Rot. Bonds9

About N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride

N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride (PubChem CID 119567915) has the molecular formula C19H33Cl2N3O2 and a molecular weight of 406.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
PubChem CID119567915
Molecular FormulaC19H33Cl2N3O2
Molecular Weight406.40 g/mol
Exact Mass405.19
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
SMILESCCN(CC)CCOc1ccc(C(=O)NC2(CN)CCCC2)cc1.Cl.Cl
InChIInChI=1S/C19H31N3O2.2ClH/c1-3-22(4-2)13-14-24-17-9-7-16(8-10-17)18(23)21-19(15-20)11-5-6-12-19;;/h7-10H,3-6,11-15,20H2,1-2H3,(H,21,23);2*1H
InChIKeyYMWOZLLMKPLIAY-UHFFFAOYSA-N
XLogP3.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide
CID 119567916
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119629951
N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide
CID 119566289
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119608481
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764949
N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119564832
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
CID 119567918

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride (CID 119567915) is N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride is CCN(CC)CCOc1ccc(C(=O)NC2(CN)CCCC2)cc1.Cl.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride?
The InChIKey is YMWOZLLMKPLIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.2ClH/c1-3-22(4-2)13-14-24-17-9-7-16(8-10-17)18(23)21-19(15-20)11-5-6-12-19;;/h7-10H,3-6,11-15,20H2,1-2H3,(H,21,23);2*1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride?
N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride has a molecular weight of 406.40 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride is sourced from PubChem (CID 119567915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).