N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine

C15H29N5 — CID 46995833

IUPACN-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine
SMILESCCCC(C)CN1CCC(n2cc(CNC)nn2)CC1
InChIInChI=1S/C15H29N5/c1-4-5-13(2)11-19-8-6-15(7-9-19)20-12-14(10-16-3)17-18-20/h12-13,15-16H,4-11H2,1-3H3
InChIKeyUZNRTQYKUUFPIN-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.07
Rot. Bonds7

About N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine

N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine (PubChem CID 46995833) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine
PubChem CID46995833
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC NameN-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine
SMILESCCCC(C)CN1CCC(n2cc(CNC)nn2)CC1
InChIInChI=1S/C15H29N5/c1-4-5-13(2)11-19-8-6-15(7-9-19)20-12-14(10-16-3)17-18-20/h12-13,15-16H,4-11H2,1-3H3
InChIKeyUZNRTQYKUUFPIN-UHFFFAOYSA-N
XLogP2.07
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine (CID 46995833) is N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine is CCCC(C)CN1CCC(n2cc(CNC)nn2)CC1.
What is the InChIKey of N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine?
The InChIKey is UZNRTQYKUUFPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-4-5-13(2)11-19-8-6-15(7-9-19)20-12-14(10-16-3)17-18-20/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine?
N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine has a molecular weight of 279.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine is sourced from PubChem (CID 46995833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).