2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine

C18H25N3 — CID 82798114

IUPAC2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine
SMILESCc1nn(C)c(C)c1CNC1c2ccccc2CC1(C)C
InChIInChI=1S/C18H25N3/c1-12-16(13(2)21(5)20-12)11-19-17-15-9-7-6-8-14(15)10-18(17,3)4/h6-9,17,19H,10-11H2,1-5H3
InChIKeyUBUPHOWLOPYFNG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.45
Rot. Bonds3

About 2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine

2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine (PubChem CID 82798114) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine
PubChem CID82798114
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine
SMILESCc1nn(C)c(C)c1CNC1c2ccccc2CC1(C)C
InChIInChI=1S/C18H25N3/c1-12-16(13(2)21(5)20-12)11-19-17-15-9-7-6-8-14(15)10-18(17,3)4/h6-9,17,19H,10-11H2,1-5H3
InChIKeyUBUPHOWLOPYFNG-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine (CID 82798114) is 2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine is Cc1nn(C)c(C)c1CNC1c2ccccc2CC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine?
The InChIKey is UBUPHOWLOPYFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12-16(13(2)21(5)20-12)11-19-17-15-9-7-6-8-14(15)10-18(17,3)4/h6-9,17,19H,10-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine?
2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82798114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).