N-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide

C11H19N5O — CID 81482991

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide
SMILESNCC1CCCCC1NC(=O)Cn1ccnn1
InChIInChI=1S/C11H19N5O/c12-7-9-3-1-2-4-10(9)14-11(17)8-16-6-5-13-15-16/h5-6,9-10H,1-4,7-8,12H2,(H,14,17)
InChIKeyRNTXEVZBWBANEM-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.09
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide

N-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide (PubChem CID 81482991) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide
PubChem CID81482991
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide
SMILESNCC1CCCCC1NC(=O)Cn1ccnn1
InChIInChI=1S/C11H19N5O/c12-7-9-3-1-2-4-10(9)14-11(17)8-16-6-5-13-15-16/h5-6,9-10H,1-4,7-8,12H2,(H,14,17)
InChIKeyRNTXEVZBWBANEM-UHFFFAOYSA-N
XLogP-0.09
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide (CID 81482991) is N-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide is NCC1CCCCC1NC(=O)Cn1ccnn1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide?
The InChIKey is RNTXEVZBWBANEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-7-9-3-1-2-4-10(9)14-11(17)8-16-6-5-13-15-16/h5-6,9-10H,1-4,7-8,12H2,(H,14,17).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide?
N-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide has a molecular weight of 237.31 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 81482991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).