4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane]

C16H23N — CID 144634359

IUPAC4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane]
SMILESCc1cnc(C(C)C)c2c1CC1(CCCC1)C2
InChIInChI=1S/C16H23N/c1-11(2)15-14-9-16(6-4-5-7-16)8-13(14)12(3)10-17-15/h10-11H,4-9H2,1-3H3
InChIKeyMSXLIWRSQQQIEU-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.17
Rot. Bonds1

About 4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane]

4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane] (PubChem CID 144634359) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane].

Molecular Properties

Compound Name4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane]
PubChem CID144634359
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane]
SMILESCc1cnc(C(C)C)c2c1CC1(CCCC1)C2
InChIInChI=1S/C16H23N/c1-11(2)15-14-9-16(6-4-5-7-16)8-13(14)12(3)10-17-15/h10-11H,4-9H2,1-3H3
InChIKeyMSXLIWRSQQQIEU-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane]?
The IUPAC name of 4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane] (CID 144634359) is 4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane].
What is the SMILES notation for 4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane]?
The canonical SMILES for 4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane] is Cc1cnc(C(C)C)c2c1CC1(CCCC1)C2.
What is the InChIKey of 4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane]?
The InChIKey is MSXLIWRSQQQIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-11(2)15-14-9-16(6-4-5-7-16)8-13(14)12(3)10-17-15/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane]?
4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane] has a molecular weight of 229.37 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane] is sourced from PubChem (CID 144634359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).