3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine

C15H23N — CID 63821562

IUPAC3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CC(CC)c2ccc(C)cc21
InChIInChI=1S/C15H23N/c1-4-8-16-15-10-12(5-2)13-7-6-11(3)9-14(13)15/h6-7,9,12,15-16H,4-5,8,10H2,1-3H3
InChIKeyHXRIHHAQXLDWCQ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.93
Rot. Bonds4

About 3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine

3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 63821562) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID63821562
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CC(CC)c2ccc(C)cc21
InChIInChI=1S/C15H23N/c1-4-8-16-15-10-12(5-2)13-7-6-11(3)9-14(13)15/h6-7,9,12,15-16H,4-5,8,10H2,1-3H3
InChIKeyHXRIHHAQXLDWCQ-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 63821562) is 3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1CC(CC)c2ccc(C)cc21.
What is the InChIKey of 3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HXRIHHAQXLDWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-8-16-15-10-12(5-2)13-7-6-11(3)9-14(13)15/h6-7,9,12,15-16H,4-5,8,10H2,1-3H3.
What are the key properties of 3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63821562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).