N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine

C11H20N4 — CID 126815328

IUPACN-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine
SMILESCCn1nncc1CNC1CCCCC1
InChIInChI=1S/C11H20N4/c1-2-15-11(9-13-14-15)8-12-10-6-4-3-5-7-10/h9-10,12H,2-8H2,1H3
InChIKeyPLAHWUNNLFXMOW-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.72
Rot. Bonds4

About N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine

N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine (PubChem CID 126815328) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine
PubChem CID126815328
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine
SMILESCCn1nncc1CNC1CCCCC1
InChIInChI=1S/C11H20N4/c1-2-15-11(9-13-14-15)8-12-10-6-4-3-5-7-10/h9-10,12H,2-8H2,1H3
InChIKeyPLAHWUNNLFXMOW-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine (CID 126815328) is N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine is CCn1nncc1CNC1CCCCC1.
What is the InChIKey of N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine?
The InChIKey is PLAHWUNNLFXMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-15-11(9-13-14-15)8-12-10-6-4-3-5-7-10/h9-10,12H,2-8H2,1H3.
What are the key properties of N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine?
N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine has a molecular weight of 208.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine is sourced from PubChem (CID 126815328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).