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

C17H25N — CID 79591857

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESCC(C)NCCC=CCc1ccc2c(c1)CCC2
InChIInChI=1S/C17H25N/c1-14(2)18-12-5-3-4-7-15-10-11-16-8-6-9-17(16)13-15/h3-4,10-11,13-14,18H,5-9,12H2,1-2H3
InChIKeyMZEYNRHWJJPQAD-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.66
Rot. Bonds6

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

5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine (PubChem CID 79591857) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine
PubChem CID79591857
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESCC(C)NCCC=CCc1ccc2c(c1)CCC2
InChIInChI=1S/C17H25N/c1-14(2)18-12-5-3-4-7-15-10-11-16-8-6-9-17(16)13-15/h3-4,10-11,13-14,18H,5-9,12H2,1-2H3
InChIKeyMZEYNRHWJJPQAD-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine
CID 115660114
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66037730
N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
CID 60849517
N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81028379
N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476
(2R)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)propanoic acid
CID 83195277
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine
CID 66481639

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine (CID 79591857) is 5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine is CC(C)NCCC=CCc1ccc2c(c1)CCC2.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is MZEYNRHWJJPQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-14(2)18-12-5-3-4-7-15-10-11-16-8-6-9-17(16)13-15/h3-4,10-11,13-14,18H,5-9,12H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine?
5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 79591857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).