N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline

C15H20N4 — CID 79859529

IUPACN-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline
SMILESCC1(C)CCCC1Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C15H20N4/c1-15(2)9-3-4-14(15)18-12-5-7-13(8-6-12)19-16-10-11-17-19/h5-8,10-11,14,18H,3-4,9H2,1-2H3
InChIKeyIHHGHBYZYXQGSV-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.26
Rot. Bonds3

About N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline

N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline (PubChem CID 79859529) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline
PubChem CID79859529
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline
SMILESCC1(C)CCCC1Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C15H20N4/c1-15(2)9-3-4-14(15)18-12-5-7-13(8-6-12)19-16-10-11-17-19/h5-8,10-11,14,18H,3-4,9H2,1-2H3
InChIKeyIHHGHBYZYXQGSV-UHFFFAOYSA-N
XLogP3.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline (CID 79859529) is N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline is CC1(C)CCCC1Nc1ccc(-n2nccn2)cc1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline?
The InChIKey is IHHGHBYZYXQGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-15(2)9-3-4-14(15)18-12-5-7-13(8-6-12)19-16-10-11-17-19/h5-8,10-11,14,18H,3-4,9H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline?
N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline has a molecular weight of 256.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline is sourced from PubChem (CID 79859529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).