N-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine

C10H18N6 — CID 167849424

IUPACN-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine
SMILESc1nnnn1CCNC12CCCC1NCC2
InChIInChI=1S/C10H18N6/c1-2-9-10(3-1,4-5-11-9)12-6-7-16-8-13-14-15-16/h8-9,11-12H,1-7H2
InChIKeyBQKWTKZJTORLOD-UHFFFAOYSA-N
MW222.30 g/mol
LogP-0.45
Rot. Bonds4

About N-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine

N-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine (PubChem CID 167849424) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is N-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine.

Molecular Properties

Compound NameN-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine
PubChem CID167849424
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC NameN-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine
SMILESc1nnnn1CCNC12CCCC1NCC2
InChIInChI=1S/C10H18N6/c1-2-9-10(3-1,4-5-11-9)12-6-7-16-8-13-14-15-16/h8-9,11-12H,1-7H2
InChIKeyBQKWTKZJTORLOD-UHFFFAOYSA-N
XLogP-0.45
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine?
The IUPAC name of N-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine (CID 167849424) is N-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine.
What is the SMILES notation for N-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine?
The canonical SMILES for N-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine is c1nnnn1CCNC12CCCC1NCC2.
What is the InChIKey of N-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine?
The InChIKey is BQKWTKZJTORLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-2-9-10(3-1,4-5-11-9)12-6-7-16-8-13-14-15-16/h8-9,11-12H,1-7H2.
What are the key properties of N-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine?
N-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine has a molecular weight of 222.30 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tetrazol-1-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine is sourced from PubChem (CID 167849424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).