5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine

C17H25N — CID 79598967

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H25N/c1-3-18-11-5-6-14(2)12-15-9-10-16-7-4-8-17(16)13-15/h6,9-10,13,18H,3-5,7-8,11-12H2,1-2H3
InChIKeyLCCORHKIZYTCNY-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.66
Rot. Bonds6

About 5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine

5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine (PubChem CID 79598967) 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-ethyl-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine
PubChem CID79598967
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H25N/c1-3-18-11-5-6-14(2)12-15-9-10-16-7-4-8-17(16)13-15/h6,9-10,13,18H,3-5,7-8,11-12H2,1-2H3
InChIKeyLCCORHKIZYTCNY-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-(ethylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119508424
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-ethylethane-1,2-diamine
CID 115205974
N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
CID 115205551
(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine
CID 115660114
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830298
5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79599622
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599249
5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607637
N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 63809220
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(ethylamino)acetamide
CID 115157865
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine (CID 79598967) is 5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine is CCNCCC=C(C)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine?
The InChIKey is LCCORHKIZYTCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-18-11-5-6-14(2)12-15-9-10-16-7-4-8-17(16)13-15/h6,9-10,13,18H,3-5,7-8,11-12H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-3-en-1-amine?
5-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-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-ethyl-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79598967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).