3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine

C17H25N3 — CID 116539007

IUPAC3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCCn1nc(CC2(C)CCC(NC)C2)c2ccccc21
InChIInChI=1S/C17H25N3/c1-4-20-16-8-6-5-7-14(16)15(19-20)12-17(2)10-9-13(11-17)18-3/h5-8,13,18H,4,9-12H2,1-3H3
InChIKeySFLSUGYVIPQYCQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.38
Rot. Bonds4

About 3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine

3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine (PubChem CID 116539007) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine
PubChem CID116539007
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCCn1nc(CC2(C)CCC(NC)C2)c2ccccc21
InChIInChI=1S/C17H25N3/c1-4-20-16-8-6-5-7-14(16)15(19-20)12-17(2)10-9-13(11-17)18-3/h5-8,13,18H,4,9-12H2,1-3H3
InChIKeySFLSUGYVIPQYCQ-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of 3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine (CID 116539007) is 3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine is CCn1nc(CC2(C)CCC(NC)C2)c2ccccc21.
What is the InChIKey of 3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine?
The InChIKey is SFLSUGYVIPQYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-20-16-8-6-5-7-14(16)15(19-20)12-17(2)10-9-13(11-17)18-3/h5-8,13,18H,4,9-12H2,1-3H3.
What are the key properties of 3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine?
3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylindazol-3-yl)methyl]-N,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 116539007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).