N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine

C24H31N3 — CID 69152416

IUPACN-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine
SMILESCc1cc(C)c(-c2cccc3c(CCCN(C)C4CC4)n(C)nc23)c(C)c1
InChIInChI=1S/C24H31N3/c1-16-14-17(2)23(18(3)15-16)21-9-6-8-20-22(27(5)25-24(20)21)10-7-13-26(4)19-11-12-19/h6,8-9,14-15,19H,7,10-13H2,1-5H3
InChIKeyDOMSQAHAPRJJCX-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.19
Rot. Bonds6

About N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine

N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine (PubChem CID 69152416) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine
PubChem CID69152416
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC NameN-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine
SMILESCc1cc(C)c(-c2cccc3c(CCCN(C)C4CC4)n(C)nc23)c(C)c1
InChIInChI=1S/C24H31N3/c1-16-14-17(2)23(18(3)15-16)21-9-6-8-20-22(27(5)25-24(20)21)10-7-13-26(4)19-11-12-19/h6,8-9,14-15,19H,7,10-13H2,1-5H3
InChIKeyDOMSQAHAPRJJCX-UHFFFAOYSA-N
XLogP5.19
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine (CID 69152416) is N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine is Cc1cc(C)c(-c2cccc3c(CCCN(C)C4CC4)n(C)nc23)c(C)c1.
What is the InChIKey of N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine?
The InChIKey is DOMSQAHAPRJJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3/c1-16-14-17(2)23(18(3)15-16)21-9-6-8-20-22(27(5)25-24(20)21)10-7-13-26(4)19-11-12-19/h6,8-9,14-15,19H,7,10-13H2,1-5H3.
What are the key properties of N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine?
N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine has a molecular weight of 361.53 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[2-methyl-7-(2,4,6-trimethylphenyl)indazol-3-yl]propyl]cyclopropanamine is sourced from PubChem (CID 69152416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).