5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline

C20H29N — CID 155183486

IUPAC5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline
SMILESC/C=C/C1=c2ncccc2=C(C(CC)CC(C)CC)CC1
InChIInChI=1S/C20H29N/c1-5-9-17-11-12-18(16(7-3)14-15(4)6-2)19-10-8-13-21-20(17)19/h5,8-10,13,15-16H,6-7,11-12,14H2,1-4H3/b9-5+
InChIKeyJTZVIEUQCLYIAW-WEVVVXLNSA-N
MW283.46 g/mol
LogP4.22
Rot. Bonds6

About 5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline

5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline (PubChem CID 155183486) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline.

Molecular Properties

Compound Name5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline
PubChem CID155183486
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline
SMILESC/C=C/C1=c2ncccc2=C(C(CC)CC(C)CC)CC1
InChIInChI=1S/C20H29N/c1-5-9-17-11-12-18(16(7-3)14-15(4)6-2)19-10-8-13-21-20(17)19/h5,8-10,13,15-16H,6-7,11-12,14H2,1-4H3/b9-5+
InChIKeyJTZVIEUQCLYIAW-WEVVVXLNSA-N
XLogP4.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70832201
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CID 71069576
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CID 88267020
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CID 89144428
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CID 89495195
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CID 89495214
CID 89495214

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline?
The IUPAC name of 5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline (CID 155183486) is 5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline.
What is the SMILES notation for 5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline?
The canonical SMILES for 5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline is C/C=C/C1=c2ncccc2=C(C(CC)CC(C)CC)CC1.
What is the InChIKey of 5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline?
The InChIKey is JTZVIEUQCLYIAW-WEVVVXLNSA-N. The full InChI is InChI=1S/C20H29N/c1-5-9-17-11-12-18(16(7-3)14-15(4)6-2)19-10-8-13-21-20(17)19/h5,8-10,13,15-16H,6-7,11-12,14H2,1-4H3/b9-5+.
What are the key properties of 5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline?
5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline has a molecular weight of 283.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylheptan-3-yl)-8-[(E)-prop-1-enyl]-6,7-dihydroquinoline is sourced from PubChem (CID 155183486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).