ethane;4-propan-2-yl-6,7-dihydroquinoline

C14H21N — CID 142610943

IUPACethane;4-propan-2-yl-6,7-dihydroquinoline
SMILESCC.CC(C)c1ccnc2c1=CCCC=2
InChIInChI=1S/C12H15N.C2H6/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-2/h5-9H,3-4H2,1-2H3;1-2H3
InChIKeyUYEHDWCIPSQOBN-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.59
Rot. Bonds1

About ethane;4-propan-2-yl-6,7-dihydroquinoline

ethane;4-propan-2-yl-6,7-dihydroquinoline (PubChem CID 142610943) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;4-propan-2-yl-6,7-dihydroquinoline.

Molecular Properties

Compound Nameethane;4-propan-2-yl-6,7-dihydroquinoline
PubChem CID142610943
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Nameethane;4-propan-2-yl-6,7-dihydroquinoline
SMILESCC.CC(C)c1ccnc2c1=CCCC=2
InChIInChI=1S/C12H15N.C2H6/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-2/h5-9H,3-4H2,1-2H3;1-2H3
InChIKeyUYEHDWCIPSQOBN-UHFFFAOYSA-N
XLogP2.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4a,5,6,7-Tetrahydroquinoline
CID 77755842
7-Fluoro-6-propan-2-yl-6,7-dihydroquinoline
CID 89318114
8-Fluoro-4-propyl-6,7-dihydroquinoline
CID 123389573
8-Fluoro-4-propan-2-yl-6,7-dihydroquinoline
CID 168883126
10a,10b-Dihydrobenzo[f]quinoline
CID 91482637
8-Methyl-4a,8a-dihydroquinoline
CID 20772220
9bH-benzo[de]quinoline
CID 57001454
8-Methyl-6,7-dihydroquinoline
CID 66607842
(5R)-5,8-dimethyl-4a,5-dihydroquinoline
CID 68330516
4a,5-Dihydroquinoline
CID 70645692
1-methylidene-8aH-isoquinoline
CID 72577554
N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-6,7-dihydroquinoline?
The IUPAC name of ethane;4-propan-2-yl-6,7-dihydroquinoline (CID 142610943) is ethane;4-propan-2-yl-6,7-dihydroquinoline.
What is the SMILES notation for ethane;4-propan-2-yl-6,7-dihydroquinoline?
The canonical SMILES for ethane;4-propan-2-yl-6,7-dihydroquinoline is CC.CC(C)c1ccnc2c1=CCCC=2.
What is the InChIKey of ethane;4-propan-2-yl-6,7-dihydroquinoline?
The InChIKey is UYEHDWCIPSQOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C2H6/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-2/h5-9H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;4-propan-2-yl-6,7-dihydroquinoline?
ethane;4-propan-2-yl-6,7-dihydroquinoline has a molecular weight of 203.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-6,7-dihydroquinoline is sourced from PubChem (CID 142610943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).