4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline

C16H23N — CID 142289395

IUPAC4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline
SMILESCCC1(C)CC12CC2(CC)c1ccc(N)cc1
InChIInChI=1S/C16H23N/c1-4-14(3)10-16(14)11-15(16,5-2)12-6-8-13(17)9-7-12/h6-9H,4-5,10-11,17H2,1-3H3
InChIKeyVONHOCWTAGZJNZ-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.13
Rot. Bonds3

About 4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline

4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline (PubChem CID 142289395) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline.

Molecular Properties

Compound Name4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline
PubChem CID142289395
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline
SMILESCCC1(C)CC12CC2(CC)c1ccc(N)cc1
InChIInChI=1S/C16H23N/c1-4-14(3)10-16(14)11-15(16,5-2)12-6-8-13(17)9-7-12/h6-9H,4-5,10-11,17H2,1-3H3
InChIKeyVONHOCWTAGZJNZ-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline?
The IUPAC name of 4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline (CID 142289395) is 4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline.
What is the SMILES notation for 4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline?
The canonical SMILES for 4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline is CCC1(C)CC12CC2(CC)c1ccc(N)cc1.
What is the InChIKey of 4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline?
The InChIKey is VONHOCWTAGZJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-14(3)10-16(14)11-15(16,5-2)12-6-8-13(17)9-7-12/h6-9H,4-5,10-11,17H2,1-3H3.
What are the key properties of 4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline?
4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline has a molecular weight of 229.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diethyl-5-methylspiro[2.2]pentan-2-yl)aniline is sourced from PubChem (CID 142289395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).