N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride

C14H19ClN6O — CID 119603577

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H18N6O.ClH/c15-8-11-2-1-3-13(11)17-14(21)10-4-6-12(7-5-10)20-9-16-18-19-20;/h4-7,9,11,13H,1-3,8,15H2,(H,17,21);1H
InChIKeyTVDMEEZGSKSZMJ-UHFFFAOYSA-N
MW322.80 g/mol
LogP0.94
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride (PubChem CID 119603577) has the molecular formula C14H19ClN6O and a molecular weight of 322.80 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
PubChem CID119603577
Molecular FormulaC14H19ClN6O
Molecular Weight322.80 g/mol
Exact Mass322.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H18N6O.ClH/c15-8-11-2-1-3-13(11)17-14(21)10-4-6-12(7-5-10)20-9-16-18-19-20;/h4-7,9,11,13H,1-3,8,15H2,(H,17,21);1H
InChIKeyTVDMEEZGSKSZMJ-UHFFFAOYSA-N
XLogP0.94
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide
CID 110279154
N-[2-(aminomethyl)cyclopentyl]-2-(tetrazol-1-yl)benzamide
CID 119602087
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119603915
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119602335
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-piperidin-4-yl-4-(tetrazol-1-yl)benzamide
CID 43603117
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119601298
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119602452
N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119604010

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride (CID 119603577) is N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
The InChIKey is TVDMEEZGSKSZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O.ClH/c15-8-11-2-1-3-13(11)17-14(21)10-4-6-12(7-5-10)20-9-16-18-19-20;/h4-7,9,11,13H,1-3,8,15H2,(H,17,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119603577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).