N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine

C16H25NO2 — CID 102977014

IUPACN-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCOC(CCNC1Cc2ccccc2C1)OCC
InChIInChI=1S/C16H25NO2/c1-3-18-16(19-4-2)9-10-17-15-11-13-7-5-6-8-14(13)12-15/h5-8,15-17H,3-4,9-12H2,1-2H3
InChIKeyVIXVFFHNMRRAAY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.53
Rot. Bonds8

About N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine

N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 102977014) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID102977014
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCOC(CCNC1Cc2ccccc2C1)OCC
InChIInChI=1S/C16H25NO2/c1-3-18-16(19-4-2)9-10-17-15-11-13-7-5-6-8-14(13)12-15/h5-8,15-17H,3-4,9-12H2,1-2H3
InChIKeyVIXVFFHNMRRAAY-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine (CID 102977014) is N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine is CCOC(CCNC1Cc2ccccc2C1)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is VIXVFFHNMRRAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-18-16(19-4-2)9-10-17-15-11-13-7-5-6-8-14(13)12-15/h5-8,15-17H,3-4,9-12H2,1-2H3.
What are the key properties of N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine?
N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 102977014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).