[1-(4,4-dimethylpentyl)indazol-3-yl]methanamine

C15H23N3 — CID 114210297

IUPAC[1-(4,4-dimethylpentyl)indazol-3-yl]methanamine
SMILESCC(C)(C)CCCn1nc(CN)c2ccccc21
InChIInChI=1S/C15H23N3/c1-15(2,3)9-6-10-18-14-8-5-4-7-12(14)13(11-16)17-18/h4-5,7-8H,6,9-11,16H2,1-3H3
InChIKeyZDYADORCQYZSGS-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.32
Rot. Bonds4

About [1-(4,4-dimethylpentyl)indazol-3-yl]methanamine

[1-(4,4-dimethylpentyl)indazol-3-yl]methanamine (PubChem CID 114210297) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is [1-(4,4-dimethylpentyl)indazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4,4-dimethylpentyl)indazol-3-yl]methanamine
PubChem CID114210297
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name[1-(4,4-dimethylpentyl)indazol-3-yl]methanamine
SMILESCC(C)(C)CCCn1nc(CN)c2ccccc21
InChIInChI=1S/C15H23N3/c1-15(2,3)9-6-10-18-14-8-5-4-7-12(14)13(11-16)17-18/h4-5,7-8H,6,9-11,16H2,1-3H3
InChIKeyZDYADORCQYZSGS-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-ethoxypropyl)indazol-3-yl]methanamine
CID 65177727
[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015702
2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine
CID 83149526
1,3-dipropylindazole
CID 174534089
1-butylindazol-3-amine
CID 62686774
3-[2-(chloromethyl)-2-methylpentyl]-1-ethylindazole
CID 66034467
[1-[(1-ethylindazol-3-yl)methyl]cyclopropyl]methanamine
CID 66026848
1-nonylindazol-3-amine
CID 63489930
2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine
CID 112567902
[1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine
CID 112644531
[1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine
CID 82925613
5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol
CID 103391529

Frequently Asked Questions

What is the IUPAC name of [1-(4,4-dimethylpentyl)indazol-3-yl]methanamine?
The IUPAC name of [1-(4,4-dimethylpentyl)indazol-3-yl]methanamine (CID 114210297) is [1-(4,4-dimethylpentyl)indazol-3-yl]methanamine.
What is the SMILES notation for [1-(4,4-dimethylpentyl)indazol-3-yl]methanamine?
The canonical SMILES for [1-(4,4-dimethylpentyl)indazol-3-yl]methanamine is CC(C)(C)CCCn1nc(CN)c2ccccc21.
What is the InChIKey of [1-(4,4-dimethylpentyl)indazol-3-yl]methanamine?
The InChIKey is ZDYADORCQYZSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(2,3)9-6-10-18-14-8-5-4-7-12(14)13(11-16)17-18/h4-5,7-8H,6,9-11,16H2,1-3H3.
What are the key properties of [1-(4,4-dimethylpentyl)indazol-3-yl]methanamine?
[1-(4,4-dimethylpentyl)indazol-3-yl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4-dimethylpentyl)indazol-3-yl]methanamine is sourced from PubChem (CID 114210297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).