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

C23H39N — CID 174824376

IUPAC5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine
SMILESCCCCCC(CCCCN(CC)CC)C1CCc2ccccc21
InChIInChI=1S/C23H39N/c1-4-7-8-13-20(15-11-12-19-24(5-2)6-3)23-18-17-21-14-9-10-16-22(21)23/h9-10,14,16,20,23H,4-8,11-13,15,17-19H2,1-3H3
InChIKeyKXSFZVQCEJRBAV-UHFFFAOYSA-N
MW329.57 g/mol
LogP6.43
Rot. Bonds12

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

5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine (PubChem CID 174824376) has the molecular formula C23H39N and a molecular weight of 329.57 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine
PubChem CID174824376
Molecular FormulaC23H39N
Molecular Weight329.57 g/mol
Exact Mass329.31
IUPAC Name5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine
SMILESCCCCCC(CCCCN(CC)CC)C1CCc2ccccc21
InChIInChI=1S/C23H39N/c1-4-7-8-13-20(15-11-12-19-24(5-2)6-3)23-18-17-21-14-9-10-16-22(21)23/h9-10,14,16,20,23H,4-8,11-13,15,17-19H2,1-3H3
InChIKeyKXSFZVQCEJRBAV-UHFFFAOYSA-N
XLogP6.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phenindamine
CID 11291
1-Methyl-4-(2'-methylphenyl)-1,2,3,6-tetrahydropyridine
CID 91767
2-(1-benzyl-1H-inden-3-yl)-N,N-dimethylethanamine
CID 11818252
1-[3-(3H-Inden-1-yl)-propyl]-3,3-dimethyl-piperidine
CID 10686061
Methyl-(5-phenyl-pentyl)-propyl-amine
CID 18790258
Isophenindamine
CID 162910
N,N-diethyl-3,3-diphenylpropan-1-amine
CID 201147
(5,5-Diphenyl-pentyl)-diethyl-amine
CID 44310879
1-n-Hexadecylindan
CID 266426
4-Benzyl-1-indan-2-ylmethyl-piperidine
CID 11336800
2-Fluoro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indole (24)
CID 129012324
2,4-Difluoro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indole (27)
CID 129012327

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine (CID 174824376) is 5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine is CCCCCC(CCCCN(CC)CC)C1CCc2ccccc21.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine?
The InChIKey is KXSFZVQCEJRBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N/c1-4-7-8-13-20(15-11-12-19-24(5-2)6-3)23-18-17-21-14-9-10-16-22(21)23/h9-10,14,16,20,23H,4-8,11-13,15,17-19H2,1-3H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine?
5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine has a molecular weight of 329.57 g/mol, XLogP of 6.43, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine is sourced from PubChem (CID 174824376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).