2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride

C19H28ClN5O2 — CID 45261251

IUPAC2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)C1(c2ccc(-n3cnnn3)cc2)CCCC1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-3-23(4-2)13-14-26-18(25)19(11-5-6-12-19)16-7-9-17(10-8-16)24-15-20-21-22-24;/h7-10,15H,3-6,11-14H2,1-2H3;1H
InChIKeyCIJKNSKFLKAZIG-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.78
Rot. Bonds8

About 2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride

2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride (PubChem CID 45261251) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride
PubChem CID45261251
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC Name2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride
SMILESCCN(CC)CCOC(=O)C1(c2ccc(-n3cnnn3)cc2)CCCC1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-3-23(4-2)13-14-26-18(25)19(11-5-6-12-19)16-7-9-17(10-8-16)24-15-20-21-22-24;/h7-10,15H,3-6,11-14H2,1-2H3;1H
InChIKeyCIJKNSKFLKAZIG-UHFFFAOYSA-N
XLogP2.78
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride (CID 45261251) is 2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride is CCN(CC)CCOC(=O)C1(c2ccc(-n3cnnn3)cc2)CCCC1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride?
The InChIKey is CIJKNSKFLKAZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.ClH/c1-3-23(4-2)13-14-26-18(25)19(11-5-6-12-19)16-7-9-17(10-8-16)24-15-20-21-22-24;/h7-10,15H,3-6,11-14H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride?
2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 1-[4-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 45261251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).