1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine

C16H23N3O2 — CID 103546905

IUPAC1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine
SMILESCCNC(Cc1nn(C)c2ccccc12)CC1OCCO1
InChIInChI=1S/C16H23N3O2/c1-3-17-12(11-16-20-8-9-21-16)10-14-13-6-4-5-7-15(13)19(2)18-14/h4-7,12,16-17H,3,8-11H2,1-2H3
InChIKeyNXBZIVHKPWTCTE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.86
Rot. Bonds6

About 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine

1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine (PubChem CID 103546905) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine
PubChem CID103546905
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine
SMILESCCNC(Cc1nn(C)c2ccccc12)CC1OCCO1
InChIInChI=1S/C16H23N3O2/c1-3-17-12(11-16-20-8-9-21-16)10-14-13-6-4-5-7-15(13)19(2)18-14/h4-7,12,16-17H,3,8-11H2,1-2H3
InChIKeyNXBZIVHKPWTCTE-UHFFFAOYSA-N
XLogP1.86
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine
CID 105001147
[1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198621
N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine
CID 116719285
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 103546972
1-N,1-N-dimethyl-3-(1-methylindazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 79092451
1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546390
N,4-dimethyl-1-(1-methylindazol-3-yl)hexan-2-amine
CID 105001190
4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine
CID 105001229
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546899
[2-(1-methylindazol-3-yl)-1-(oxan-2-yl)ethyl]hydrazine
CID 105318163
N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105161379
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine (CID 103546905) is 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine is CCNC(Cc1nn(C)c2ccccc12)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine?
The InChIKey is NXBZIVHKPWTCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-17-12(11-16-20-8-9-21-16)10-14-13-6-4-5-7-15(13)19(2)18-14/h4-7,12,16-17H,3,8-11H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine?
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine is sourced from PubChem (CID 103546905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).