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

C13H26N4 — CID 43703161

IUPAC5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine
SMILESCCC(C)CC(CC)NC(C)c1nncn1C
InChIInChI=1S/C13H26N4/c1-6-10(3)8-12(7-2)15-11(4)13-16-14-9-17(13)5/h9-12,15H,6-8H2,1-5H3
InChIKeyPPKVXQGNNGPQGM-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.68
Rot. Bonds7

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

5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine (PubChem CID 43703161) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine
PubChem CID43703161
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine
SMILESCCC(C)CC(CC)NC(C)c1nncn1C
InChIInChI=1S/C13H26N4/c1-6-10(3)8-12(7-2)15-11(4)13-16-14-9-17(13)5/h9-12,15H,6-8H2,1-5H3
InChIKeyPPKVXQGNNGPQGM-UHFFFAOYSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.68
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
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
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
4-ethyl-3-(pyrrolidin-3-ylmethyl)-4H-1,2,4-triazole
CID 65979590
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
1-[3-(4-Methylpiperidin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71893532

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine?
The IUPAC name of 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine (CID 43703161) is 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine.
What is the SMILES notation for 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine?
The canonical SMILES for 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine is CCC(C)CC(CC)NC(C)c1nncn1C.
What is the InChIKey of 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine?
The InChIKey is PPKVXQGNNGPQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-6-10(3)8-12(7-2)15-11(4)13-16-14-9-17(13)5/h9-12,15H,6-8H2,1-5H3.
What are the key properties of 5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine?
5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine has a molecular weight of 238.38 g/mol, XLogP of 2.68, 7 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]heptan-3-amine is sourced from PubChem (CID 43703161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).