1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

C16H30N4 — CID 107189619

IUPAC1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCNC(Cc1ncnn1CC(C)C)C1CCCC1(C)C
InChIInChI=1S/C16H30N4/c1-12(2)10-20-15(18-11-19-20)9-14(17-5)13-7-6-8-16(13,3)4/h11-14,17H,6-10H2,1-5H3
InChIKeyVLYVFKMEIXAFSI-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.89
Rot. Bonds6

About 1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 107189619) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID107189619
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCNC(Cc1ncnn1CC(C)C)C1CCCC1(C)C
InChIInChI=1S/C16H30N4/c1-12(2)10-20-15(18-11-19-20)9-14(17-5)13-7-6-8-16(13,3)4/h11-14,17H,6-10H2,1-5H3
InChIKeyVLYVFKMEIXAFSI-UHFFFAOYSA-N
XLogP2.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclooctyl-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 80610722
N-methyl-1-(1-methylcyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000139
1-cyclohexyl-N-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999870
1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 107189965
1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052
1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine
CID 107187759
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(oxolan-2-yl)ethyl]hydrazine
CID 105229065
2-cyclopentyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpropan-1-amine
CID 115926635
1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 80603042
[1-(2-methylcyclopropyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105234905
1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999912
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine
CID 105000109

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (CID 107189619) is 1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is CNC(Cc1ncnn1CC(C)C)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is VLYVFKMEIXAFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)10-20-15(18-11-19-20)9-14(17-5)13-7-6-8-16(13,3)4/h11-14,17H,6-10H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 278.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 107189619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).