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

C17H25N — CID 114475034

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)C1Cc2ccccc2C1
InChIInChI=1S/C17H25N/c1-4-18-17(10-9-13(2)3)16-11-14-7-5-6-8-15(14)12-16/h5-8,16-18H,2,4,9-12H2,1,3H3
InChIKeyOZDYXJWFDXHICV-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.74
Rot. Bonds6

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

1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine (PubChem CID 114475034) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
PubChem CID114475034
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)C1Cc2ccccc2C1
InChIInChI=1S/C17H25N/c1-4-18-17(10-9-13(2)3)16-11-14-7-5-6-8-15(14)12-16/h5-8,16-18H,2,4,9-12H2,1,3H3
InChIKeyOZDYXJWFDXHICV-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
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-2-yl)-N-ethylpropan-1-amine
CID 65410925
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine
CID 65410934
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine
CID 65410933
1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475790
N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 66039249
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pent-4-yn-1-amine
CID 65404592
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180444
1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine
CID 65412290
1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65411320
1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039219
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine
CID 65405177
1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine
CID 65412304

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine (CID 114475034) is 1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine is C=C(C)CCC(NCC)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine?
The InChIKey is OZDYXJWFDXHICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-4-18-17(10-9-13(2)3)16-11-14-7-5-6-8-15(14)12-16/h5-8,16-18H,2,4,9-12H2,1,3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine?
1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.74, 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-2-yl)-N-ethyl-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114475034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).