N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine

C14H26N4 — CID 126837046

IUPACN-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCC1CCCCC1CNC(C)c1ncn(C)n1
InChIInChI=1S/C14H26N4/c1-4-12-7-5-6-8-13(12)9-15-11(2)14-16-10-18(3)17-14/h10-13,15H,4-9H2,1-3H3
InChIKeyROONUDKLYMYPNV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.68
Rot. Bonds5

About N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine

N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 126837046) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID126837046
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCC1CCCCC1CNC(C)c1ncn(C)n1
InChIInChI=1S/C14H26N4/c1-4-12-7-5-6-8-13(12)9-15-11(2)14-16-10-18(3)17-14/h10-13,15H,4-9H2,1-3H3
InChIKeyROONUDKLYMYPNV-UHFFFAOYSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine (CID 126837046) is N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine is CCC1CCCCC1CNC(C)c1ncn(C)n1.
What is the InChIKey of N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is ROONUDKLYMYPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-12-7-5-6-8-13(12)9-15-11(2)14-16-10-18(3)17-14/h10-13,15H,4-9H2,1-3H3.
What are the key properties of N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine?
N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 126837046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).