N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine

C13H24N4 — CID 86803544

IUPACN-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCN(Cc1ncnn1C)C1CCCCC1C
InChIInChI=1S/C13H24N4/c1-4-17(9-13-14-10-15-16(13)3)12-8-6-5-7-11(12)2/h10-12H,4-9H2,1-3H3
InChIKeyQNBPOLPSAUQBNX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.22
Rot. Bonds4

About N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine

N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 86803544) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID86803544
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCN(Cc1ncnn1C)C1CCCCC1C
InChIInChI=1S/C13H24N4/c1-4-17(9-13-14-10-15-16(13)3)12-8-6-5-7-11(12)2/h10-12H,4-9H2,1-3H3
InChIKeyQNBPOLPSAUQBNX-UHFFFAOYSA-N
XLogP2.22
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (CID 86803544) is N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is CCN(Cc1ncnn1C)C1CCCCC1C.
What is the InChIKey of N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is QNBPOLPSAUQBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-17(9-13-14-10-15-16(13)3)12-8-6-5-7-11(12)2/h10-12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 86803544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).