1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine

C14H20N6 — CID 81467030

IUPAC1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine
SMILESCc1nnnn1-c1cccc(NC2CC(C)N(C)C2)c1
InChIInChI=1S/C14H20N6/c1-10-7-13(9-19(10)3)15-12-5-4-6-14(8-12)20-11(2)16-17-18-20/h4-6,8,10,13,15H,7,9H2,1-3H3
InChIKeyRKMKFTMJSNGWQJ-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.48
Rot. Bonds3

About 1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine

1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine (PubChem CID 81467030) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine
PubChem CID81467030
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine
SMILESCc1nnnn1-c1cccc(NC2CC(C)N(C)C2)c1
InChIInChI=1S/C14H20N6/c1-10-7-13(9-19(10)3)15-12-5-4-6-14(8-12)20-11(2)16-17-18-20/h4-6,8,10,13,15H,7,9H2,1-3H3
InChIKeyRKMKFTMJSNGWQJ-UHFFFAOYSA-N
XLogP1.48
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine (CID 81467030) is 1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine is Cc1nnnn1-c1cccc(NC2CC(C)N(C)C2)c1.
What is the InChIKey of 1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine?
The InChIKey is RKMKFTMJSNGWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-10-7-13(9-19(10)3)15-12-5-4-6-14(8-12)20-11(2)16-17-18-20/h4-6,8,10,13,15H,7,9H2,1-3H3.
What are the key properties of 1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine?
1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine has a molecular weight of 272.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 81467030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).