N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide

C15H22N2O — CID 10824347

IUPACN-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CC)C1Cc2ccc(N)cc2C1
InChIInChI=1S/C15H22N2O/c1-3-7-17(15(18)4-2)14-9-11-5-6-13(16)8-12(11)10-14/h5-6,8,14H,3-4,7,9-10,16H2,1-2H3
InChIKeyVCUHHBFADQDQHB-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.38
Rot. Bonds4

About N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide

N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide (PubChem CID 10824347) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide
PubChem CID10824347
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CC)C1Cc2ccc(N)cc2C1
InChIInChI=1S/C15H22N2O/c1-3-7-17(15(18)4-2)14-9-11-5-6-13(16)8-12(11)10-14/h5-6,8,14H,3-4,7,9-10,16H2,1-2H3
InChIKeyVCUHHBFADQDQHB-UHFFFAOYSA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide (CID 10824347) is N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide is CCCN(C(=O)CC)C1Cc2ccc(N)cc2C1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide?
The InChIKey is VCUHHBFADQDQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-7-17(15(18)4-2)14-9-11-5-6-13(16)8-12(11)10-14/h5-6,8,14H,3-4,7,9-10,16H2,1-2H3.
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide?
N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide is sourced from PubChem (CID 10824347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).