N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine

C14H21N3 — CID 103125829

IUPACN-ethyl-1-(1-methylindazol-3-yl)butan-1-amine
SMILESCCCC(NCC)c1nn(C)c2ccccc12
InChIInChI=1S/C14H21N3/c1-4-8-12(15-5-2)14-11-9-6-7-10-13(11)17(3)16-14/h6-7,9-10,12,15H,4-5,8H2,1-3H3
InChIKeyLNCDVZUXEUAQDV-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.02
Rot. Bonds5

About N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine

N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine (PubChem CID 103125829) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylindazol-3-yl)butan-1-amine
PubChem CID103125829
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-ethyl-1-(1-methylindazol-3-yl)butan-1-amine
SMILESCCCC(NCC)c1nn(C)c2ccccc12
InChIInChI=1S/C14H21N3/c1-4-8-12(15-5-2)14-11-9-6-7-10-13(11)17(3)16-14/h6-7,9-10,12,15H,4-5,8H2,1-3H3
InChIKeyLNCDVZUXEUAQDV-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126554
N-methyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126552
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
N-methyl-1-(1-methylindazol-3-yl)-3-phenylpropan-1-amine
CID 103126196
2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine
CID 103127777
3-methyl-1-(1-methylindazol-3-yl)hexan-1-amine
CID 103126789
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103128359
N-[(1-methylindazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 103126252
N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine
CID 116719285
N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 103128049
3-(difluoromethyl)-1-methylindazole
CID 153487584

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine (CID 103125829) is N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine is CCCC(NCC)c1nn(C)c2ccccc12.
What is the InChIKey of N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine?
The InChIKey is LNCDVZUXEUAQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-8-12(15-5-2)14-11-9-6-7-10-13(11)17(3)16-14/h6-7,9-10,12,15H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine?
N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine is sourced from PubChem (CID 103125829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).