(1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine

C17H23N3 — CID 25154365

IUPAC(1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(C)c(C)c1-c1ccc2c(c1)[C@@H](N(C)C)CC2
InChIInChI=1S/C17H23N3/c1-11-17(12(2)20(5)18-11)14-7-6-13-8-9-16(19(3)4)15(13)10-14/h6-7,10,16H,8-9H2,1-5H3/t16-/m0/s1
InChIKeyIHSBTIJZJJXCJQ-INIZCTEOSA-N
MW269.39 g/mol
LogP3.25
Rot. Bonds2

About (1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine

(1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 25154365) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID25154365
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name(1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(C)c(C)c1-c1ccc2c(c1)[C@@H](N(C)C)CC2
InChIInChI=1S/C17H23N3/c1-11-17(12(2)20(5)18-11)14-7-6-13-8-9-16(19(3)4)15(13)10-14/h6-7,10,16H,8-9H2,1-5H3/t16-/m0/s1
InChIKeyIHSBTIJZJJXCJQ-INIZCTEOSA-N
XLogP3.25
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine (CID 25154365) is (1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine is Cc1nn(C)c(C)c1-c1ccc2c(c1)[C@@H](N(C)C)CC2.
What is the InChIKey of (1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IHSBTIJZJJXCJQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-17(12(2)20(5)18-11)14-7-6-13-8-9-16(19(3)4)15(13)10-14/h6-7,10,16H,8-9H2,1-5H3/t16-/m0/s1.
What are the key properties of (1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
(1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 25154365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).