2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine

C19H31N — CID 83159671

IUPAC2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(Cc1ccc2c(c1)CCC2)C(C)C
InChIInChI=1S/C19H31N/c1-5-11-20-14-19(4,15(2)3)13-16-9-10-17-7-6-8-18(17)12-16/h9-10,12,15,20H,5-8,11,13-14H2,1-4H3
InChIKeyJEBZDWWPILXMQI-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.38
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine

2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine (PubChem CID 83159671) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine
PubChem CID83159671
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(Cc1ccc2c(c1)CCC2)C(C)C
InChIInChI=1S/C19H31N/c1-5-11-20-14-19(4,15(2)3)13-16-9-10-17-7-6-8-18(17)12-16/h9-10,12,15,20H,5-8,11,13-14H2,1-4H3
InChIKeyJEBZDWWPILXMQI-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.38
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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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159396
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylbutan-1-ol
CID 83150043
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66037730
2-[(2,5-dimethylphenyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83160491
2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159839
3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496310
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83150826
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150266
3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine
CID 62459278
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine
CID 103228424
2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151559

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine (CID 83159671) is 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine is CCCNCC(C)(Cc1ccc2c(c1)CCC2)C(C)C.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is JEBZDWWPILXMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-11-20-14-19(4,15(2)3)13-16-9-10-17-7-6-8-18(17)12-16/h9-10,12,15,20H,5-8,11,13-14H2,1-4H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine?
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 83159671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).