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

C17H25N — CID 105039781

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H25N/c1-4-18-17(11-8-13(2)3)16-10-9-14-6-5-7-15(14)12-16/h9-10,12,17-18H,2,4-8,11H2,1,3H3
InChIKeyZYWJWKXMAPQCLY-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.18
Rot. Bonds6

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

1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine (PubChem CID 105039781) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine
PubChem CID105039781
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H25N/c1-4-18-17(11-8-13(2)3)16-10-9-14-6-5-7-15(14)12-16/h9-10,12,17-18H,2,4-8,11H2,1,3H3
InChIKeyZYWJWKXMAPQCLY-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
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)-N-ethylheptan-1-amine
CID 114752406
1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039354
N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039454
N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 105039166
1-(3,5-dichlorophenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039546
1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 43491775
N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine
CID 105039459
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 63508658
N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 43494268
N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43488967
1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine
CID 115814837

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine (CID 105039781) is 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine is C=C(C)CCC(NCC)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine?
The InChIKey is ZYWJWKXMAPQCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-4-18-17(11-8-13(2)3)16-10-9-14-6-5-7-15(14)12-16/h9-10,12,17-18H,2,4-8,11H2,1,3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine?
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.18, 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-ethyl-4-methylpent-4-en-1-amine is sourced from PubChem (CID 105039781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).