7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine

C22H30N2 — CID 155732221

IUPAC7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine
SMILESC=Cc1cc2ccc(CCC3CCC(C(C)CC)C3)cc2nc1N
InChIInChI=1S/C22H30N2/c1-4-15(3)19-10-8-16(12-19)6-7-17-9-11-20-14-18(5-2)22(23)24-21(20)13-17/h5,9,11,13-16,19H,2,4,6-8,10,12H2,1,3H3,(H2,23,24)
InChIKeyJMEVLFMLZVRLHP-UHFFFAOYSA-N
MW322.50 g/mol
LogP5.86
Rot. Bonds6

About 7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine

7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine (PubChem CID 155732221) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine.

Molecular Properties

Compound Name7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine
PubChem CID155732221
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine
SMILESC=Cc1cc2ccc(CCC3CCC(C(C)CC)C3)cc2nc1N
InChIInChI=1S/C22H30N2/c1-4-15(3)19-10-8-16(12-19)6-7-17-9-11-20-14-18(5-2)22(23)24-21(20)13-17/h5,9,11,13-16,19H,2,4,6-8,10,12H2,1,3H3,(H2,23,24)
InChIKeyJMEVLFMLZVRLHP-UHFFFAOYSA-N
XLogP5.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine?
The IUPAC name of 7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine (CID 155732221) is 7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine.
What is the SMILES notation for 7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine?
The canonical SMILES for 7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine is C=Cc1cc2ccc(CCC3CCC(C(C)CC)C3)cc2nc1N.
What is the InChIKey of 7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine?
The InChIKey is JMEVLFMLZVRLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-4-15(3)19-10-8-16(12-19)6-7-17-9-11-20-14-18(5-2)22(23)24-21(20)13-17/h5,9,11,13-16,19H,2,4,6-8,10,12H2,1,3H3,(H2,23,24).
What are the key properties of 7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine?
7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine has a molecular weight of 322.50 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-butan-2-ylcyclopentyl)ethyl]-3-ethenylquinolin-2-amine is sourced from PubChem (CID 155732221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).