1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine

C11H21N5 — CID 64914472

IUPAC1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCCC1CCC(n2nnnc2CNC)C1C
InChIInChI=1S/C11H21N5/c1-4-9-5-6-10(8(9)2)16-11(7-12-3)13-14-15-16/h8-10,12H,4-7H2,1-3H3
InChIKeyYXYNQBZKVKMSHI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.39
Rot. Bonds4

About 1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine

1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine (PubChem CID 64914472) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine
PubChem CID64914472
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCCC1CCC(n2nnnc2CNC)C1C
InChIInChI=1S/C11H21N5/c1-4-9-5-6-10(8(9)2)16-11(7-12-3)13-14-15-16/h8-10,12H,4-7H2,1-3H3
InChIKeyYXYNQBZKVKMSHI-UHFFFAOYSA-N
XLogP1.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine (CID 64914472) is 1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine is CCC1CCC(n2nnnc2CNC)C1C.
What is the InChIKey of 1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is YXYNQBZKVKMSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-4-9-5-6-10(8(9)2)16-11(7-12-3)13-14-15-16/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine?
1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 64914472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).