N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine

C11H22N6 — CID 69400771

IUPACN,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine
SMILESCCN(CC)CCn1nnc([C@@H]2CCCN2)n1
InChIInChI=1S/C11H22N6/c1-3-16(4-2)8-9-17-14-11(13-15-17)10-6-5-7-12-10/h10,12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyMKEOCKRGCNSEBY-JTQLQIEISA-N
MW238.34 g/mol
LogP0.44
Rot. Bonds6

About N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine

N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine (PubChem CID 69400771) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine
PubChem CID69400771
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC NameN,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine
SMILESCCN(CC)CCn1nnc([C@@H]2CCCN2)n1
InChIInChI=1S/C11H22N6/c1-3-16(4-2)8-9-17-14-11(13-15-17)10-6-5-7-12-10/h10,12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyMKEOCKRGCNSEBY-JTQLQIEISA-N
XLogP0.44
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine (CID 69400771) is N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine is CCN(CC)CCn1nnc([C@@H]2CCCN2)n1.
What is the InChIKey of N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine?
The InChIKey is MKEOCKRGCNSEBY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N6/c1-3-16(4-2)8-9-17-14-11(13-15-17)10-6-5-7-12-10/h10,12H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine?
N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine has a molecular weight of 238.34 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-[(2S)-pyrrolidin-2-yl]tetrazol-2-yl]ethanamine is sourced from PubChem (CID 69400771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).