4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine

C14H26N4 — CID 105003205

IUPAC4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(N)CCC1CCCC1
InChIInChI=1S/C14H26N4/c1-2-9-18-14(16-11-17-18)10-13(15)8-7-12-5-3-4-6-12/h11-13H,2-10,15H2,1H3
InChIKeyPCQJUQMCRMNHDJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.53
Rot. Bonds7

About 4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine

4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 105003205) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID105003205
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(N)CCC1CCCC1
InChIInChI=1S/C14H26N4/c1-2-9-18-14(16-11-17-18)10-13(15)8-7-12-5-3-4-6-12/h11-13H,2-10,15H2,1H3
InChIKeyPCQJUQMCRMNHDJ-UHFFFAOYSA-N
XLogP2.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole
CID 112570463
2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 112570348
4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 115580373
3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79045251
4-cyclopentyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009415
4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162668
1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052
1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105162643
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958
4-(3-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162672
1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999912
4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003135

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of 4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (CID 105003205) is 4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for 4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for 4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is CCCn1ncnc1CC(N)CCC1CCCC1.
What is the InChIKey of 4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is PCQJUQMCRMNHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-2-9-18-14(16-11-17-18)10-13(15)8-7-12-5-3-4-6-12/h11-13H,2-10,15H2,1H3.
What are the key properties of 4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 105003205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).