[1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine

C15H26N4 — CID 55107923

IUPAC[1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
SMILESNCC1(Cc2nncn2C2CCCC2)CCCCC1
InChIInChI=1S/C15H26N4/c16-11-15(8-4-1-5-9-15)10-14-18-17-12-19(14)13-6-2-3-7-13/h12-13H,1-11,16H2
InChIKeyYNABRQWDCAKMKV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds4

About [1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine

[1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine (PubChem CID 55107923) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
PubChem CID55107923
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name[1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
SMILESNCC1(Cc2nncn2C2CCCC2)CCCCC1
InChIInChI=1S/C15H26N4/c16-11-15(8-4-1-5-9-15)10-14-18-17-12-19(14)13-6-2-3-7-13/h12-13H,1-11,16H2
InChIKeyYNABRQWDCAKMKV-UHFFFAOYSA-N
XLogP2.84
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine (CID 55107923) is [1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine is NCC1(Cc2nncn2C2CCCC2)CCCCC1.
What is the InChIKey of [1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The InChIKey is YNABRQWDCAKMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c16-11-15(8-4-1-5-9-15)10-14-18-17-12-19(14)13-6-2-3-7-13/h12-13H,1-11,16H2.
What are the key properties of [1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
[1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 55107923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).