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

C19H31N — CID 65412304

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)C1Cc2ccccc2C1
InChIInChI=1S/C19H31N/c1-3-5-6-7-12-19(20-13-4-2)18-14-16-10-8-9-11-17(16)15-18/h8-11,18-20H,3-7,12-15H2,1-2H3
InChIKeyBJMZXRVUVRJKRD-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.74
Rot. Bonds9

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

1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine (PubChem CID 65412304) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine
PubChem CID65412304
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)C1Cc2ccccc2C1
InChIInChI=1S/C19H31N/c1-3-5-6-7-12-19(20-13-4-2)18-14-16-10-8-9-11-17(16)15-18/h8-11,18-20H,3-7,12-15H2,1-2H3
InChIKeyBJMZXRVUVRJKRD-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine (CID 65412304) is 1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine is CCCCCCC(NCCC)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine?
The InChIKey is BJMZXRVUVRJKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-5-6-7-12-19(20-13-4-2)18-14-16-10-8-9-11-17(16)15-18/h8-11,18-20H,3-7,12-15H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine?
1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine is sourced from PubChem (CID 65412304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).