2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine

C13H24N4 — CID 106662637

IUPAC2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCCc1ncn(C)n1
InChIInChI=1S/C13H24N4/c1-10-7-13(2,3)8-11(10)14-6-5-12-15-9-17(4)16-12/h9-11,14H,5-8H2,1-4H3
InChIKeyIDZDSHIBRXEMCD-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.77
Rot. Bonds4

About 2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine

2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine (PubChem CID 106662637) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
PubChem CID106662637
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCCc1ncn(C)n1
InChIInChI=1S/C13H24N4/c1-10-7-13(2,3)8-11(10)14-6-5-12-15-9-17(4)16-12/h9-11,14H,5-8H2,1-4H3
InChIKeyIDZDSHIBRXEMCD-UHFFFAOYSA-N
XLogP1.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine (CID 106662637) is 2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine is CC1CC(C)(C)CC1NCCc1ncn(C)n1.
What is the InChIKey of 2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine?
The InChIKey is IDZDSHIBRXEMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-7-13(2,3)8-11(10)14-6-5-12-15-9-17(4)16-12/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine?
2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 106662637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).