[4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine

C18H27N3 — CID 81011684

IUPAC[4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Cc2nn(C)c3ccccc23)C1
InChIInChI=1S/C18H27N3/c1-3-13-8-9-14(12-19)15(10-13)11-17-16-6-4-5-7-18(16)21(2)20-17/h4-7,13-15H,3,8-12,19H2,1-2H3
InChIKeyFSWHKWKUGXHBGH-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.52
Rot. Bonds4

About [4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine

[4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine (PubChem CID 81011684) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is [4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine
PubChem CID81011684
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name[4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Cc2nn(C)c3ccccc23)C1
InChIInChI=1S/C18H27N3/c1-3-13-8-9-14(12-19)15(10-13)11-17-16-6-4-5-7-18(16)21(2)20-17/h4-7,13-15H,3,8-12,19H2,1-2H3
InChIKeyFSWHKWKUGXHBGH-UHFFFAOYSA-N
XLogP3.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine (CID 81011684) is [4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine is CCC1CCC(CN)C(Cc2nn(C)c3ccccc23)C1.
What is the InChIKey of [4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine?
The InChIKey is FSWHKWKUGXHBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-13-8-9-14(12-19)15(10-13)11-17-16-6-4-5-7-18(16)21(2)20-17/h4-7,13-15H,3,8-12,19H2,1-2H3.
What are the key properties of [4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine?
[4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine has a molecular weight of 285.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81011684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).