N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine

C13H26N6 — CID 107049800

IUPACN,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine
SMILESCNC(Cc1nnn(C)n1)C(C)(C)N1CCCCC1
InChIInChI=1S/C13H26N6/c1-13(2,19-8-6-5-7-9-19)11(14-3)10-12-15-17-18(4)16-12/h11,14H,5-10H2,1-4H3
InChIKeySFAKUNPOZUGWON-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.61
Rot. Bonds5

About N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine

N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine (PubChem CID 107049800) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine
PubChem CID107049800
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC NameN,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine
SMILESCNC(Cc1nnn(C)n1)C(C)(C)N1CCCCC1
InChIInChI=1S/C13H26N6/c1-13(2,19-8-6-5-7-9-19)11(14-3)10-12-15-17-18(4)16-12/h11,14H,5-10H2,1-4H3
InChIKeySFAKUNPOZUGWON-UHFFFAOYSA-N
XLogP0.61
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine?
The IUPAC name of N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine (CID 107049800) is N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine is CNC(Cc1nnn(C)n1)C(C)(C)N1CCCCC1.
What is the InChIKey of N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine?
The InChIKey is SFAKUNPOZUGWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-13(2,19-8-6-5-7-9-19)11(14-3)10-12-15-17-18(4)16-12/h11,14H,5-10H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine?
N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 107049800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).