2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine

C11H20N4 — CID 106281859

IUPAC2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCCC1C)c1ncn[nH]1
InChIInChI=1S/C11H20N4/c1-8-5-3-4-6-10(8)14-9(2)11-12-7-13-15-11/h7-10,14H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyQLZGXAIPFLGHGG-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.03
Rot. Bonds3

About 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine

2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine (PubChem CID 106281859) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine
PubChem CID106281859
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCCC1C)c1ncn[nH]1
InChIInChI=1S/C11H20N4/c1-8-5-3-4-6-10(8)14-9(2)11-12-7-13-15-11/h7-10,14H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyQLZGXAIPFLGHGG-UHFFFAOYSA-N
XLogP2.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114207826
3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 106282338
1,1-dioxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thian-4-amine
CID 106281595
4-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cycloheptan-1-amine
CID 106282309
4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 112753670
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 106282023
1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 103885456
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylcyclopentan-1-amine
CID 65046013
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine
CID 114239296
2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 75375494
(2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 97219658
1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103912459

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine (CID 106281859) is 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine is CC(NC1CCCCC1C)c1ncn[nH]1.
What is the InChIKey of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine?
The InChIKey is QLZGXAIPFLGHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8-5-3-4-6-10(8)14-9(2)11-12-7-13-15-11/h7-10,14H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine?
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106281859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).