(2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C15H25N — CID 14863802

IUPAC(2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESC=CC[C@H]1CC[C@@H]2[C@@H](CC=C)CCC[C@@H]2N1
InChIInChI=1S/C15H25N/c1-3-6-12-8-5-9-15-14(12)11-10-13(16-15)7-4-2/h3-4,12-16H,1-2,5-11H2/t12-,13-,14+,15-/m0/s1
InChIKeyMPVIDXQYRAHWKE-XQLPTFJDSA-N
MW219.37 g/mol
LogP3.68
Rot. Bonds4

About (2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

(2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 14863802) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name(2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID14863802
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESC=CC[C@H]1CC[C@@H]2[C@@H](CC=C)CCC[C@@H]2N1
InChIInChI=1S/C15H25N/c1-3-6-12-8-5-9-15-14(12)11-10-13(16-15)7-4-2/h3-4,12-16H,1-2,5-11H2/t12-,13-,14+,15-/m0/s1
InChIKeyMPVIDXQYRAHWKE-XQLPTFJDSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of (2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 14863802) is (2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for (2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for (2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is C=CC[C@H]1CC[C@@H]2[C@@H](CC=C)CCC[C@@H]2N1.
What is the InChIKey of (2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is MPVIDXQYRAHWKE-XQLPTFJDSA-N. The full InChI is InChI=1S/C15H25N/c1-3-6-12-8-5-9-15-14(12)11-10-13(16-15)7-4-2/h3-4,12-16H,1-2,5-11H2/t12-,13-,14+,15-/m0/s1.
What are the key properties of (2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
(2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 219.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,5R,8aS)-2,5-bis(prop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 14863802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).