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

C18H29N — CID 114752406

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H29N/c1-3-5-6-7-11-18(19-4-2)17-13-12-15-9-8-10-16(15)14-17/h12-14,18-19H,3-11H2,1-2H3
InChIKeyKPUHTNCYSXFMTP-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.80
Rot. Bonds8

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

1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine (PubChem CID 114752406) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
PubChem CID114752406
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H29N/c1-3-5-6-7-11-18(19-4-2)17-13-12-15-9-8-10-16(15)14-17/h12-14,18-19H,3-11H2,1-2H3
InChIKeyKPUHTNCYSXFMTP-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 43494268
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine
CID 63503929
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
CID 114752389
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine
CID 55145401
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039781
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
CID 61026967
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyldecan-1-amine
CID 115831829
1-(3,4-diethylphenyl)-N-ethylheptan-1-amine
CID 114752651
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459
1-(4-chloro-3-methylphenyl)-N-ethyloctan-1-amine
CID 115832279
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 43491775

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine (CID 114752406) is 1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine is CCCCCCC(NCC)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine?
The InChIKey is KPUHTNCYSXFMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-5-6-7-11-18(19-4-2)17-13-12-15-9-8-10-16(15)14-17/h12-14,18-19H,3-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine?
1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.80, 8 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-ethylheptan-1-amine is sourced from PubChem (CID 114752406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).