2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine

C16H22N4 — CID 79862110

IUPAC2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C16H22N4/c1-16(2)10-6-9-14(16)17-11-13-15(19-20-18-13)12-7-4-3-5-8-12/h3-5,7-8,14,17H,6,9-11H2,1-2H3,(H,18,19,20)
InChIKeyKUOKCYRFTRQCGH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.14
Rot. Bonds4

About 2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine

2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 79862110) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID79862110
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C16H22N4/c1-16(2)10-6-9-14(16)17-11-13-15(19-20-18-13)12-7-4-3-5-8-12/h3-5,7-8,14,17H,6,9-11H2,1-2H3,(H,18,19,20)
InChIKeyKUOKCYRFTRQCGH-UHFFFAOYSA-N
XLogP3.14
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine (CID 79862110) is 2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine is CC1(C)CCCC1NCc1n[nH]nc1-c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is KUOKCYRFTRQCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-16(2)10-6-9-14(16)17-11-13-15(19-20-18-13)12-7-4-3-5-8-12/h3-5,7-8,14,17H,6,9-11H2,1-2H3,(H,18,19,20).
What are the key properties of 2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine?
2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79862110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).