1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline

C17H25N — CID 141066942

IUPAC1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline
SMILESC=CC(CC)c1ccc2c(c1)N(C)CCC2(C)C
InChIInChI=1S/C17H25N/c1-6-13(7-2)14-8-9-15-16(12-14)18(5)11-10-17(15,3)4/h6,8-9,12-13H,1,7,10-11H2,2-5H3
InChIKeyMSHDUEIOLOMJQO-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.48
Rot. Bonds3

About 1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline

1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline (PubChem CID 141066942) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline.

Molecular Properties

Compound Name1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline
PubChem CID141066942
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline
SMILESC=CC(CC)c1ccc2c(c1)N(C)CCC2(C)C
InChIInChI=1S/C17H25N/c1-6-13(7-2)14-8-9-15-16(12-14)18(5)11-10-17(15,3)4/h6,8-9,12-13H,1,7,10-11H2,2-5H3
InChIKeyMSHDUEIOLOMJQO-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,4,4-trimethyl-6-propan-2-yl-2,3-dihydroquinoline
CID 58893584
4-[2-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)heptoxy]benzoic acid
CID 10294971
1,4,4-trimethyl-2,3-dihydroquinolin-6-amine
CID 53407083
4-pent-1-en-3-ylbenzenesulfonate
CID 101147789
(Z)-3-(1,4,4-trimethyl-2,3-dihydroquinolin-6-yl)but-2-enoic acid
CID 18466750
1-butyl-4,4-dimethyl-2,3-dihydroquinoline
CID 167020051
1,4-dimethyl-6-propan-2-yl-2,3-dihydroquinoxaline
CID 58398104
1-ethyl-5,5-dimethyl-8-nitro-3,4-dihydro-2H-1-benzazepine
CID 151001715
1-[5-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-methyl-1-phenylpyrrol-3-yl]propan-1-one
CID 151183935
1-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-bromoethanone
CID 88919380
1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine
CID 116525818
(1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide
CID 97177607

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline?
The IUPAC name of 1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline (CID 141066942) is 1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline.
What is the SMILES notation for 1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline?
The canonical SMILES for 1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline is C=CC(CC)c1ccc2c(c1)N(C)CCC2(C)C.
What is the InChIKey of 1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline?
The InChIKey is MSHDUEIOLOMJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-6-13(7-2)14-8-9-15-16(12-14)18(5)11-10-17(15,3)4/h6,8-9,12-13H,1,7,10-11H2,2-5H3.
What are the key properties of 1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline?
1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline has a molecular weight of 243.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-7-pent-1-en-3-yl-2,3-dihydroquinoline is sourced from PubChem (CID 141066942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).