N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine

C16H23N3O — CID 103127434

IUPACN-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1nn(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-17-14(10-9-12-6-5-11-20-12)16-13-7-3-4-8-15(13)19(2)18-16/h3-4,7-8,12,14,17H,5-6,9-11H2,1-2H3
InChIKeyNVGISCGRFIOUAK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.79
Rot. Bonds5

About N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine

N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 103127434) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID103127434
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1nn(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-17-14(10-9-12-6-5-11-20-12)16-13-7-3-4-8-15(13)19(2)18-16/h3-4,7-8,12,14,17H,5-6,9-11H2,1-2H3
InChIKeyNVGISCGRFIOUAK-UHFFFAOYSA-N
XLogP2.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126552
N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 114755171
1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115856332
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
[1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198621
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 114024223
N-methyl-4-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 104993115
1-[2-(difluoromethoxy)phenyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993696
N-methyl-3-(oxolan-2-yl)-1-quinolin-3-ylpropan-1-amine
CID 115797860
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine
CID 65165688

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine (CID 103127434) is N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)c1nn(C)c2ccccc12.
What is the InChIKey of N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is NVGISCGRFIOUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-17-14(10-9-12-6-5-11-20-12)16-13-7-3-4-8-15(13)19(2)18-16/h3-4,7-8,12,14,17H,5-6,9-11H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine?
N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 103127434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).