1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine

C19H31N — CID 83161369

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)C1Cc2ccccc2C1
InChIInChI=1S/C19H31N/c1-4-12-20-19(11-7-8-15(2)3)18-13-16-9-5-6-10-17(16)14-18/h5-6,9-10,15,18-20H,4,7-8,11-14H2,1-3H3
InChIKeyHNPKPSUIGJMWOU-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.60
Rot. Bonds8

About 1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine

1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine (PubChem CID 83161369) 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)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine
PubChem CID83161369
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)C1Cc2ccccc2C1
InChIInChI=1S/C19H31N/c1-4-12-20-19(11-7-8-15(2)3)18-13-16-9-5-6-10-17(16)14-18/h5-6,9-10,15,18-20H,4,7-8,11-14H2,1-3H3
InChIKeyHNPKPSUIGJMWOU-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine (CID 83161369) is 1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is HNPKPSUIGJMWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-12-20-19(11-7-8-15(2)3)18-13-16-9-5-6-10-17(16)14-18/h5-6,9-10,15,18-20H,4,7-8,11-14H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine?
1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.60, 8 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)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 83161369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).