1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine

C16H23N — CID 115814837

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N/c1-3-6-16(17-11-4-2)15-10-9-13-7-5-8-14(13)12-15/h3,9-10,12,16-17H,1,4-8,11H2,2H3
InChIKeyCSGRHQUROQAUOF-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.79
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine

1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine (PubChem CID 115814837) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine
PubChem CID115814837
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N/c1-3-6-16(17-11-4-2)15-10-9-13-7-5-8-14(13)12-15/h3,9-10,12,16-17H,1,4-8,11H2,2H3
InChIKeyCSGRHQUROQAUOF-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine
CID 105289620
N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 43494268
1-(6-bromonaphthalen-2-yl)-N-propylbut-3-en-1-amine
CID 115814812
1-(3,5-dibromophenyl)-N-propylbut-3-en-1-amine
CID 107973949
1-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496762
1-(3,4-diethoxyphenyl)-N-propylbut-3-en-1-amine
CID 116660997
N-[1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064185
1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 106754991
1-(3,5-dichlorophenyl)-N-propylbut-3-en-1-amine
CID 115815027
1-(2,6-dimethyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 107503998
N-[2,2,2-trifluoro-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propan-1-amine
CID 43494261
1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine
CID 115814330

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine (CID 115814837) is 1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine is C=CCC(NCCC)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine?
The InChIKey is CSGRHQUROQAUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-6-16(17-11-4-2)15-10-9-13-7-5-8-14(13)12-15/h3,9-10,12,16-17H,1,4-8,11H2,2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine?
1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 115814837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).