N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine

C12H22N4 — CID 107191060

IUPACN-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1CCCC1C
InChIInChI=1S/C12H22N4/c1-4-13-12(10-7-5-6-9(10)2)11-8-14-15-16(11)3/h8-10,12-13H,4-7H2,1-3H3
InChIKeyJASKZPJDOYGTLP-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.90
Rot. Bonds4

About N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine

N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 107191060) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID107191060
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1CCCC1C
InChIInChI=1S/C12H22N4/c1-4-13-12(10-7-5-6-9(10)2)11-8-14-15-16(11)3/h8-10,12-13H,4-7H2,1-3H3
InChIKeyJASKZPJDOYGTLP-UHFFFAOYSA-N
XLogP1.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114688768
N-[(4,4-dimethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688067
N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine
CID 105043621
N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 114688035
[(2-methylcyclopentyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 107194750
N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107188092
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688144
N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688103
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 107178293
N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 114688561
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine (CID 107191060) is N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine is CCNC(c1cnnn1C)C1CCCC1C.
What is the InChIKey of N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is JASKZPJDOYGTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-13-12(10-7-5-6-9(10)2)11-8-14-15-16(11)3/h8-10,12-13H,4-7H2,1-3H3.
What are the key properties of N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 222.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 107191060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).