N-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide

C13H23N5O — CID 81487038

IUPACN-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide
SMILESNCC(NC(=O)CCn1ccnn1)C1CCCCC1
InChIInChI=1S/C13H23N5O/c14-10-12(11-4-2-1-3-5-11)16-13(19)6-8-18-9-7-15-17-18/h7,9,11-12H,1-6,8,10,14H2,(H,16,19)
InChIKeyQUWOSKOBGPHZCD-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.69
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide

N-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide (PubChem CID 81487038) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide
PubChem CID81487038
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide
SMILESNCC(NC(=O)CCn1ccnn1)C1CCCCC1
InChIInChI=1S/C13H23N5O/c14-10-12(11-4-2-1-3-5-11)16-13(19)6-8-18-9-7-15-17-18/h7,9,11-12H,1-6,8,10,14H2,(H,16,19)
InChIKeyQUWOSKOBGPHZCD-UHFFFAOYSA-N
XLogP0.69
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide (CID 81487038) is N-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide is NCC(NC(=O)CCn1ccnn1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide?
The InChIKey is QUWOSKOBGPHZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c14-10-12(11-4-2-1-3-5-11)16-13(19)6-8-18-9-7-15-17-18/h7,9,11-12H,1-6,8,10,14H2,(H,16,19).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide?
N-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 81487038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).