buta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine

C20H34FN — CID 162687899

IUPACbuta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine
SMILESC=CC=C.CC.CCCCF.Cc1ccc2c(c1)CC(N)C2
InChIInChI=1S/C10H13N.C4H9F.C4H6.C2H6/c1-7-2-3-8-5-10(11)6-9(8)4-7;1-2-3-4-5;1-3-4-2;1-2/h2-4,10H,5-6,11H2,1H3;2-4H2,1H3;3-4H,1-2H2;1-2H3
InChIKeyQNJDEKHUEQHOKQ-UHFFFAOYSA-N
MW307.50 g/mol
LogP5.56
Rot. Bonds3

About buta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine

buta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 162687899) has the molecular formula C20H34FN and a molecular weight of 307.50 g/mol. Its IUPAC name is buta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Namebuta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine
PubChem CID162687899
Molecular FormulaC20H34FN
Molecular Weight307.50 g/mol
Exact Mass307.27
IUPAC Namebuta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine
SMILESC=CC=C.CC.CCCCF.Cc1ccc2c(c1)CC(N)C2
InChIInChI=1S/C10H13N.C4H9F.C4H6.C2H6/c1-7-2-3-8-5-10(11)6-9(8)4-7;1-2-3-4-5;1-3-4-2;1-2/h2-4,10H,5-6,11H2,1H3;2-4H2,1H3;3-4H,1-2H2;1-2H3
InChIKeyQNJDEKHUEQHOKQ-UHFFFAOYSA-N
XLogP5.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-2-amine;2,4-dimethylbenzenethiol;ethenamine;methanamine;methanol;1-methylpyrrolidin-2-ol;pentane
CID 142585302
5-ethoxy-2,3-dihydro-1H-inden-2-amine
CID 90944154
N,5-dimethyl-2,3-dihydro-1H-inden-2-amine
CID 23397060
2,3-dihydro-1H-inden-2-amine;ethane
CID 142154792
2-(5-methyl-2,3-dihydro-1H-inden-2-yl)propan-2-amine
CID 105443946
butane;2,7-dimethyl-9H-fluorene;ethane;methane
CID 143631351
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CID 84718259
but-1-ene;ethane;hex-1-ene;1,2,4-trimethylbenzene
CID 144521975
2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole
CID 130382610
5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine
CID 112563918
5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine
CID 142804209

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of buta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine (CID 162687899) is buta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for buta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for buta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine is C=CC=C.CC.CCCCF.Cc1ccc2c(c1)CC(N)C2.
What is the InChIKey of buta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is QNJDEKHUEQHOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C4H9F.C4H6.C2H6/c1-7-2-3-8-5-10(11)6-9(8)4-7;1-2-3-4-5;1-3-4-2;1-2/h2-4,10H,5-6,11H2,1H3;2-4H2,1H3;3-4H,1-2H2;1-2H3.
What are the key properties of buta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine?
buta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 307.50 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;ethane;1-fluorobutane;5-methyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 162687899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).