2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine

C18H29N3 — CID 83149526

IUPAC2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine
SMILESCC(C)CCCn1nc(CNC(C)(C)C)c2ccccc21
InChIInChI=1S/C18H29N3/c1-14(2)9-8-12-21-17-11-7-6-10-15(17)16(20-21)13-19-18(3,4)5/h6-7,10-11,14,19H,8-9,12-13H2,1-5H3
InChIKeyMVHHWUUTTYCVGH-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.36
Rot. Bonds6

About 2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine (PubChem CID 83149526) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine
PubChem CID83149526
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine
SMILESCC(C)CCCn1nc(CNC(C)(C)C)c2ccccc21
InChIInChI=1S/C18H29N3/c1-14(2)9-8-12-21-17-11-7-6-10-15(17)16(20-21)13-19-18(3,4)5/h6-7,10-11,14,19H,8-9,12-13H2,1-5H3
InChIKeyMVHHWUUTTYCVGH-UHFFFAOYSA-N
XLogP4.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine (CID 83149526) is 2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine is CC(C)CCCn1nc(CNC(C)(C)C)c2ccccc21.
What is the InChIKey of 2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine?
The InChIKey is MVHHWUUTTYCVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(2)9-8-12-21-17-11-7-6-10-15(17)16(20-21)13-19-18(3,4)5/h6-7,10-11,14,19H,8-9,12-13H2,1-5H3.
What are the key properties of 2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 83149526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).