2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C15H29N — CID 602057

IUPAC2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCCCC1CCC2C(CCC)CCCC2N1
InChIInChI=1S/C15H29N/c1-3-6-12-8-5-9-15-14(12)11-10-13(16-15)7-4-2/h12-16H,3-11H2,1-2H3
InChIKeyMPLWFJRXBSAKCA-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.12
Rot. Bonds4

About 2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 602057) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID602057
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCCCC1CCC2C(CCC)CCCC2N1
InChIInChI=1S/C15H29N/c1-3-6-12-8-5-9-15-14(12)11-10-13(16-15)7-4-2/h12-16H,3-11H2,1-2H3
InChIKeyMPLWFJRXBSAKCA-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 602057) is 2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CCCC1CCC2C(CCC)CCCC2N1.
What is the InChIKey of 2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is MPLWFJRXBSAKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-3-6-12-8-5-9-15-14(12)11-10-13(16-15)7-4-2/h12-16H,3-11H2,1-2H3.
What are the key properties of 2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 223.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 602057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).