[(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine

C9H17N5 — CID 23563013

IUPAC[(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine
SMILESC[C@@H]1CC[C@@](CN)(Cc2nn[nH]n2)C1
InChIInChI=1S/C9H17N5/c1-7-2-3-9(4-7,6-10)5-8-11-13-14-12-8/h7H,2-6,10H2,1H3,(H,11,12,13,14)/t7-,9+/m1/s1
InChIKeyGZTMHLUMLNNQMG-APPZFPTMSA-N
MW195.27 g/mol
LogP0.51
Rot. Bonds3

About [(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine

[(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine (PubChem CID 23563013) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is [(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine
PubChem CID23563013
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name[(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine
SMILESC[C@@H]1CC[C@@](CN)(Cc2nn[nH]n2)C1
InChIInChI=1S/C9H17N5/c1-7-2-3-9(4-7,6-10)5-8-11-13-14-12-8/h7H,2-6,10H2,1H3,(H,11,12,13,14)/t7-,9+/m1/s1
InChIKeyGZTMHLUMLNNQMG-APPZFPTMSA-N
XLogP0.51
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine?
The IUPAC name of [(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine (CID 23563013) is [(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine.
What is the SMILES notation for [(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine?
The canonical SMILES for [(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine is C[C@@H]1CC[C@@](CN)(Cc2nn[nH]n2)C1.
What is the InChIKey of [(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine?
The InChIKey is GZTMHLUMLNNQMG-APPZFPTMSA-N. The full InChI is InChI=1S/C9H17N5/c1-7-2-3-9(4-7,6-10)5-8-11-13-14-12-8/h7H,2-6,10H2,1H3,(H,11,12,13,14)/t7-,9+/m1/s1.
What are the key properties of [(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine?
[(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-methyl-1-(2H-tetrazol-5-ylmethyl)cyclopentyl]methanamine is sourced from PubChem (CID 23563013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).