(1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine

C11H20N4 — CID 104865416

IUPAC(1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESC[C@@H](NCc1cnnn1C)C1CCCC1
InChIInChI=1S/C11H20N4/c1-9(10-5-3-4-6-10)12-7-11-8-13-14-15(11)2/h8-10,12H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyQRTXRYUVJILXKA-SECBINFHSA-N
MW208.31 g/mol
LogP1.48
Rot. Bonds4

About (1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine

(1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 104865416) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID104865416
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESC[C@@H](NCc1cnnn1C)C1CCCC1
InChIInChI=1S/C11H20N4/c1-9(10-5-3-4-6-10)12-7-11-8-13-14-15(11)2/h8-10,12H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyQRTXRYUVJILXKA-SECBINFHSA-N
XLogP1.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine
CID 115682672
(1R)-1-cycloheptyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81392354
(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81387906
(2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol
CID 114986524
(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81391425
(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol
CID 115682675
N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide
CID 115682453
(1S)-1-cyclohexyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81384071
(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445
2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol
CID 66268500
(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81391282

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine (CID 104865416) is (1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine is C[C@@H](NCc1cnnn1C)C1CCCC1.
What is the InChIKey of (1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is QRTXRYUVJILXKA-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(10-5-3-4-6-10)12-7-11-8-13-14-15(11)2/h8-10,12H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
(1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 104865416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).