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

C16H31N5 — CID 46984898

IUPACN,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine
SMILESCCCC(C)CN1CCC(n2cc(CN(C)C)nn2)CC1
InChIInChI=1S/C16H31N5/c1-5-6-14(2)11-20-9-7-16(8-10-20)21-13-15(17-18-21)12-19(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyRDYTUHYHLNWQID-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.41
Rot. Bonds7

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

N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine (PubChem CID 46984898) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine
PubChem CID46984898
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC NameN,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine
SMILESCCCC(C)CN1CCC(n2cc(CN(C)C)nn2)CC1
InChIInChI=1S/C16H31N5/c1-5-6-14(2)11-20-9-7-16(8-10-20)21-13-15(17-18-21)12-19(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyRDYTUHYHLNWQID-UHFFFAOYSA-N
XLogP2.41
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine (CID 46984898) is N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine is CCCC(C)CN1CCC(n2cc(CN(C)C)nn2)CC1.
What is the InChIKey of N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine?
The InChIKey is RDYTUHYHLNWQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-5-6-14(2)11-20-9-7-16(8-10-20)21-13-15(17-18-21)12-19(3)4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine?
N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine has a molecular weight of 293.46 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine is sourced from PubChem (CID 46984898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).