ethane;2-propan-2-ylquinoline

C16H25N — CID 142538504

IUPACethane;2-propan-2-ylquinoline
SMILESCC.CC.CC(C)c1ccc2ccccc2n1
InChIInChI=1S/C12H13N.2C2H6/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;2*1-2/h3-9H,1-2H3;2*1-2H3
InChIKeyJJVXNDKSJDPNGM-UHFFFAOYSA-N
MW231.38 g/mol
LogP5.41
Rot. Bonds1

About ethane;2-propan-2-ylquinoline

ethane;2-propan-2-ylquinoline (PubChem CID 142538504) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is ethane;2-propan-2-ylquinoline.

Molecular Properties

Compound Nameethane;2-propan-2-ylquinoline
PubChem CID142538504
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Nameethane;2-propan-2-ylquinoline
SMILESCC.CC.CC(C)c1ccc2ccccc2n1
InChIInChI=1S/C12H13N.2C2H6/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;2*1-2/h3-9H,1-2H3;2*1-2H3
InChIKeyJJVXNDKSJDPNGM-UHFFFAOYSA-N
XLogP5.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tacrine
CID 1935
Quinoline
CID 7047
Proflavine
CID 7099
Acridine
CID 9215
Benz(c)acridine
CID 9181
Pyrvinium
CID 5281035
6-Methylquinoline
CID 7059
Acridine Orange Base
CID 62344
9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine hydrochloride
CID 8643

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-ylquinoline?
The IUPAC name of ethane;2-propan-2-ylquinoline (CID 142538504) is ethane;2-propan-2-ylquinoline.
What is the SMILES notation for ethane;2-propan-2-ylquinoline?
The canonical SMILES for ethane;2-propan-2-ylquinoline is CC.CC.CC(C)c1ccc2ccccc2n1.
What is the InChIKey of ethane;2-propan-2-ylquinoline?
The InChIKey is JJVXNDKSJDPNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.2C2H6/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;2*1-2/h3-9H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-propan-2-ylquinoline?
ethane;2-propan-2-ylquinoline has a molecular weight of 231.38 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-ylquinoline is sourced from PubChem (CID 142538504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).