ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline

C18H27N — CID 168983927

IUPACethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline
SMILESC/C=C\c1c(C)ccc2c1=C(C(C)C)CCN=2.CC
InChIInChI=1S/C16H21N.C2H6/c1-5-6-14-12(4)7-8-15-16(14)13(11(2)3)9-10-17-15;1-2/h5-8,11H,9-10H2,1-4H3;1-2H3/b6-5-;
InChIKeyKPESDAWIUVADCY-YSMBQZINSA-N
MW257.42 g/mol
LogP3.88
Rot. Bonds2

About ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline

ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline (PubChem CID 168983927) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline.

Molecular Properties

Compound Nameethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline
PubChem CID168983927
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Nameethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline
SMILESC/C=C\c1c(C)ccc2c1=C(C(C)C)CCN=2.CC
InChIInChI=1S/C16H21N.C2H6/c1-5-6-14-12(4)7-8-15-16(14)13(11(2)3)9-10-17-15;1-2/h5-8,11H,9-10H2,1-4H3;1-2H3/b6-5-;
InChIKeyKPESDAWIUVADCY-YSMBQZINSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-2-[(Z)-prop-1-enyl]benzene;2-methylpropane
CID 143961291
N-iodo-N,3-dimethyl-5-propan-2-yl-4-[(Z)-prop-1-enyl]aniline
CID 137446405
2-methyl-1-prop-1-enylnaphthalene
CID 123646968
2,3,3,5-tetramethyl-4-[(Z)-prop-1-enyl]indole
CID 142114175
2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran
CID 144613081
ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene
CID 145089984
ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144672016
2-methyl-6-propan-2-yl-4,5-dihydropyrimidine
CID 146204571
4,6-dimethyl-5-propan-2-yl-2,3-dihydropyridine
CID 123661159
ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine
CID 145232526
1,3,5-trimethyl-2-prop-1-enylbenzene
CID 54520603
7-fluoro-8-methyl-1-propan-2-yl-2,3-dihydronaphthalene
CID 169127783

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline?
The IUPAC name of ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline (CID 168983927) is ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline.
What is the SMILES notation for ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline?
The canonical SMILES for ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline is C/C=C\c1c(C)ccc2c1=C(C(C)C)CCN=2.CC.
What is the InChIKey of ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline?
The InChIKey is KPESDAWIUVADCY-YSMBQZINSA-N. The full InChI is InChI=1S/C16H21N.C2H6/c1-5-6-14-12(4)7-8-15-16(14)13(11(2)3)9-10-17-15;1-2/h5-8,11H,9-10H2,1-4H3;1-2H3/b6-5-;.
What are the key properties of ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline?
ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline has a molecular weight of 257.42 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline is sourced from PubChem (CID 168983927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).