ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine

C17H29N3O — CID 144745897

IUPACethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
SMILESCC.COC1=CC2=CC=CNC2C(NC(C)CCCN)=C1
InChIInChI=1S/C15H23N3O.C2H6/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;1-2/h4,6,8-11,15,17-18H,3,5,7,16H2,1-2H3;1-2H3
InChIKeyDVPRNBGSQHXFMW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.57
Rot. Bonds6

About ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine

ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine (PubChem CID 144745897) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine.

Molecular Properties

Compound Nameethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
PubChem CID144745897
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Nameethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
SMILESCC.COC1=CC2=CC=CNC2C(NC(C)CCCN)=C1
InChIInChI=1S/C15H23N3O.C2H6/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;1-2/h4,6,8-11,15,17-18H,3,5,7,16H2,1-2H3;1-2H3
InChIKeyDVPRNBGSQHXFMW-UHFFFAOYSA-N
XLogP2.57
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine?
The IUPAC name of ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine (CID 144745897) is ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine.
What is the SMILES notation for ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine?
The canonical SMILES for ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine is CC.COC1=CC2=CC=CNC2C(NC(C)CCCN)=C1.
What is the InChIKey of ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine?
The InChIKey is DVPRNBGSQHXFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.C2H6/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;1-2/h4,6,8-11,15,17-18H,3,5,7,16H2,1-2H3;1-2H3.
What are the key properties of ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine?
ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine is sourced from PubChem (CID 144745897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).