2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine

C16H26N2O — CID 55011209

IUPAC2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine
SMILESCCN(C(C)COC)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C16H26N2O/c1-4-18(13(2)11-19-3)16(12-17)9-14-7-5-6-8-15(14)10-16/h5-8,13H,4,9-12,17H2,1-3H3
InChIKeySUJPIUCWEVBHIS-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.84
Rot. Bonds6

About 2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine

2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine (PubChem CID 55011209) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine
PubChem CID55011209
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine
SMILESCCN(C(C)COC)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C16H26N2O/c1-4-18(13(2)11-19-3)16(12-17)9-14-7-5-6-8-15(14)10-16/h5-8,13H,4,9-12,17H2,1-3H3
InChIKeySUJPIUCWEVBHIS-UHFFFAOYSA-N
XLogP1.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine (CID 55011209) is 2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine is CCN(C(C)COC)C1(CN)Cc2ccccc2C1.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine?
The InChIKey is SUJPIUCWEVBHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18(13(2)11-19-3)16(12-17)9-14-7-5-6-8-15(14)10-16/h5-8,13H,4,9-12,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine?
2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine has a molecular weight of 262.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-dihydroinden-2-amine is sourced from PubChem (CID 55011209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).