2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine

C17H27N3 — CID 103127777

IUPAC2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1nn(C)c2ccccc12)C(CC)CC
InChIInChI=1S/C17H27N3/c1-5-12-18-16(13(6-2)7-3)17-14-10-8-9-11-15(14)20(4)19-17/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyYLGVWEWVAPKTPS-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.05
Rot. Bonds7

About 2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine

2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine (PubChem CID 103127777) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine
PubChem CID103127777
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1nn(C)c2ccccc12)C(CC)CC
InChIInChI=1S/C17H27N3/c1-5-12-18-16(13(6-2)7-3)17-14-10-8-9-11-15(14)20(4)19-17/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyYLGVWEWVAPKTPS-UHFFFAOYSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134392
N-[(1-methylindazol-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 103126319
N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103125829
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 103128049
N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126554
4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine
CID 105001229
3-(difluoromethyl)-1-methylindazole
CID 153487584
N-methyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126552
1-N,1-N-dimethyl-3-(1-methylindazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 79092451
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol
CID 103128712

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine (CID 103127777) is 2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine is CCCNC(c1nn(C)c2ccccc12)C(CC)CC.
What is the InChIKey of 2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine?
The InChIKey is YLGVWEWVAPKTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-12-18-16(13(6-2)7-3)17-14-10-8-9-11-15(14)20(4)19-17/h8-11,13,16,18H,5-7,12H2,1-4H3.
What are the key properties of 2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine?
2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 103127777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).