1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine

C18H29N — CID 65412290

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)C1Cc2ccccc2C1
InChIInChI=1S/C18H29N/c1-4-11-19-18(10-9-14(2)3)17-12-15-7-5-6-8-16(15)13-17/h5-8,14,17-19H,4,9-13H2,1-3H3
InChIKeyJMVSJDMDGXIPDW-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.21
Rot. Bonds7

About 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine

1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine (PubChem CID 65412290) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine
PubChem CID65412290
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)C1Cc2ccccc2C1
InChIInChI=1S/C18H29N/c1-4-11-19-18(10-9-14(2)3)17-12-15-7-5-6-8-16(15)13-17/h5-8,14,17-19H,4,9-13H2,1-3H3
InChIKeyJMVSJDMDGXIPDW-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine (CID 65412290) is 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)C)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is JMVSJDMDGXIPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-11-19-18(10-9-14(2)3)17-12-15-7-5-6-8-16(15)13-17/h5-8,14,17-19H,4,9-13H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine?
1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.21, 7 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)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 65412290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).