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

C15H27N5 — CID 74546171

IUPACN-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine
SMILESCCC=C(C)CN1CCC(n2cc(CNC)nn2)CC1
InChIInChI=1S/C15H27N5/c1-4-5-13(2)11-19-8-6-15(7-9-19)20-12-14(10-16-3)17-18-20/h5,12,15-16H,4,6-11H2,1-3H3
InChIKeyUXSFTRMNMHIJCM-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.99
Rot. Bonds6

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

N-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine (PubChem CID 74546171) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine
PubChem CID74546171
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine
SMILESCCC=C(C)CN1CCC(n2cc(CNC)nn2)CC1
InChIInChI=1S/C15H27N5/c1-4-5-13(2)11-19-8-6-15(7-9-19)20-12-14(10-16-3)17-18-20/h5,12,15-16H,4,6-11H2,1-3H3
InChIKeyUXSFTRMNMHIJCM-UHFFFAOYSA-N
XLogP1.99
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine (CID 74546171) is N-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine is CCC=C(C)CN1CCC(n2cc(CNC)nn2)CC1.
What is the InChIKey of N-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine?
The InChIKey is UXSFTRMNMHIJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-5-13(2)11-19-8-6-15(7-9-19)20-12-14(10-16-3)17-18-20/h5,12,15-16H,4,6-11H2,1-3H3.
What are the key properties of N-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine?
N-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine has a molecular weight of 277.42 g/mol, XLogP of 1.99, 6 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-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine is sourced from PubChem (CID 74546171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).