1-pentoxy-2,3-dihydroinden-1-amine

C14H21NO — CID 67764672

IUPAC1-pentoxy-2,3-dihydroinden-1-amine
SMILESCCCCCOC1(N)CCc2ccccc21
InChIInChI=1S/C14H21NO/c1-2-3-6-11-16-14(15)10-9-12-7-4-5-8-13(12)14/h4-5,7-8H,2-3,6,9-11,15H2,1H3
InChIKeyKNLZWPUIYGRHLH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.95
Rot. Bonds5

About 1-pentoxy-2,3-dihydroinden-1-amine

1-pentoxy-2,3-dihydroinden-1-amine (PubChem CID 67764672) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-pentoxy-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-pentoxy-2,3-dihydroinden-1-amine
PubChem CID67764672
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-pentoxy-2,3-dihydroinden-1-amine
SMILESCCCCCOC1(N)CCc2ccccc21
InChIInChI=1S/C14H21NO/c1-2-3-6-11-16-14(15)10-9-12-7-4-5-8-13(12)14/h4-5,7-8H,2-3,6,9-11,15H2,1H3
InChIKeyKNLZWPUIYGRHLH-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentoxy-2,3-dihydroinden-1-amine?
The IUPAC name of 1-pentoxy-2,3-dihydroinden-1-amine (CID 67764672) is 1-pentoxy-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-pentoxy-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-pentoxy-2,3-dihydroinden-1-amine is CCCCCOC1(N)CCc2ccccc21.
What is the InChIKey of 1-pentoxy-2,3-dihydroinden-1-amine?
The InChIKey is KNLZWPUIYGRHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-6-11-16-14(15)10-9-12-7-4-5-8-13(12)14/h4-5,7-8H,2-3,6,9-11,15H2,1H3.
What are the key properties of 1-pentoxy-2,3-dihydroinden-1-amine?
1-pentoxy-2,3-dihydroinden-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxy-2,3-dihydroinden-1-amine is sourced from PubChem (CID 67764672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).