3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine

C15H30N4O — CID 116719460

IUPAC3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine
SMILESCCCNC(Cc1ncnn1C(C)C)C(CCC)OC
InChIInChI=1S/C15H30N4O/c1-6-8-14(20-5)13(16-9-7-2)10-15-17-11-18-19(15)12(3)4/h11-14,16H,6-10H2,1-5H3
InChIKeyKLPDGQOFHGOVMZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.58
Rot. Bonds10

About 3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine

3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine (PubChem CID 116719460) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine
PubChem CID116719460
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine
SMILESCCCNC(Cc1ncnn1C(C)C)C(CCC)OC
InChIInChI=1S/C15H30N4O/c1-6-8-14(20-5)13(16-9-7-2)10-15-17-11-18-19(15)12(3)4/h11-14,16H,6-10H2,1-5H3
InChIKeyKLPDGQOFHGOVMZ-UHFFFAOYSA-N
XLogP2.58
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104999745
1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719464
[3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105247050
[1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105246125
3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79616250
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995
1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine
CID 105407006
1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719573
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 116718086
4-[3-methoxy-2-(propylamino)hexyl]pyridin-2-amine
CID 116719566
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
N-[1-(3-methyl-1,4-dithian-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115387404

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine?
The IUPAC name of 3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine (CID 116719460) is 3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine.
What is the SMILES notation for 3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine?
The canonical SMILES for 3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine is CCCNC(Cc1ncnn1C(C)C)C(CCC)OC.
What is the InChIKey of 3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine?
The InChIKey is KLPDGQOFHGOVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-6-8-14(20-5)13(16-9-7-2)10-15-17-11-18-19(15)12(3)4/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine?
3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine has a molecular weight of 282.43 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine is sourced from PubChem (CID 116719460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).