1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine

C17H27N3 — CID 83116527

IUPAC1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN(C)C1(CNC2CCc3cc(N)ccc32)CCCC1
InChIInChI=1S/C17H27N3/c1-20(2)17(9-3-4-10-17)12-19-16-8-5-13-11-14(18)6-7-15(13)16/h6-7,11,16,19H,3-5,8-10,12,18H2,1-2H3
InChIKeyUBYSINYEKAPNGT-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.72
Rot. Bonds4

About 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine

1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 83116527) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID83116527
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN(C)C1(CNC2CCc3cc(N)ccc32)CCCC1
InChIInChI=1S/C17H27N3/c1-20(2)17(9-3-4-10-17)12-19-16-8-5-13-11-14(18)6-7-15(13)16/h6-7,11,16,19H,3-5,8-10,12,18H2,1-2H3
InChIKeyUBYSINYEKAPNGT-UHFFFAOYSA-N
XLogP2.72
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 83116527) is 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine is CN(C)C1(CNC2CCc3cc(N)ccc32)CCCC1.
What is the InChIKey of 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is UBYSINYEKAPNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-20(2)17(9-3-4-10-17)12-19-16-8-5-13-11-14(18)6-7-15(13)16/h6-7,11,16,19H,3-5,8-10,12,18H2,1-2H3.
What are the key properties of 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 273.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 83116527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).