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

C12H24N4 — CID 43703109

IUPAC5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NC(C)c1nncn1C
InChIInChI=1S/C12H24N4/c1-9(2)6-7-10(3)14-11(4)12-15-13-8-16(12)5/h8-11,14H,6-7H2,1-5H3
InChIKeyAGUKELBWVINAEO-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.29
Rot. Bonds6

About 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine

5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine (PubChem CID 43703109) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine
PubChem CID43703109
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NC(C)c1nncn1C
InChIInChI=1S/C12H24N4/c1-9(2)6-7-10(3)14-11(4)12-15-13-8-16(12)5/h8-11,14H,6-7H2,1-5H3
InChIKeyAGUKELBWVINAEO-UHFFFAOYSA-N
XLogP2.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 25658249
alpha,4-Dimethyl-4H-1,2,4-triazole-3-methanamine
CID 16766592
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylbutan-2-yl)urea
CID 47218838
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 50961413
1-(3-Methylbutyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53505222
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine (CID 43703109) is 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine is CC(C)CCC(C)NC(C)c1nncn1C.
What is the InChIKey of 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine?
The InChIKey is AGUKELBWVINAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-9(2)6-7-10(3)14-11(4)12-15-13-8-16(12)5/h8-11,14H,6-7H2,1-5H3.
What are the key properties of 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine?
5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 43703109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).