4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane]

C17H25N — CID 5213420

IUPAC4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane]
SMILESCc1cccc2c1NC1(CCCCCC1)CC2C
InChIInChI=1S/C17H25N/c1-13-8-7-9-15-14(2)12-17(18-16(13)15)10-5-3-4-6-11-17/h7-9,14,18H,3-6,10-12H2,1-2H3
InChIKeyBWOUCGMRKDIKGD-UHFFFAOYSA-N
MW243.39 g/mol
LogP5.01
Rot. Bonds

About 4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane]

4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane] (PubChem CID 5213420) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane].

Molecular Properties

Compound Name4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane]
PubChem CID5213420
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane]
SMILESCc1cccc2c1NC1(CCCCCC1)CC2C
InChIInChI=1S/C17H25N/c1-13-8-7-9-15-14(2)12-17(18-16(13)15)10-5-3-4-6-11-17/h7-9,14,18H,3-6,10-12H2,1-2H3
InChIKeyBWOUCGMRKDIKGD-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane]?
The IUPAC name of 4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane] (CID 5213420) is 4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane].
What is the SMILES notation for 4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane]?
The canonical SMILES for 4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane] is Cc1cccc2c1NC1(CCCCCC1)CC2C.
What is the InChIKey of 4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane]?
The InChIKey is BWOUCGMRKDIKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-13-8-7-9-15-14(2)12-17(18-16(13)15)10-5-3-4-6-11-17/h7-9,14,18H,3-6,10-12H2,1-2H3.
What are the key properties of 4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane]?
4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane] has a molecular weight of 243.39 g/mol, XLogP of 5.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane] is sourced from PubChem (CID 5213420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).