1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine

C17H27N3 — CID 79724206

IUPAC1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCCN1CCC(NC2CCc3cc(N)ccc32)CC1
InChIInChI=1S/C17H27N3/c1-2-9-20-10-7-15(8-11-20)19-17-6-3-13-12-14(18)4-5-16(13)17/h4-5,12,15,17,19H,2-3,6-11,18H2,1H3
InChIKeyOUXCWNLJKIYAKQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.72
Rot. Bonds4

About 1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79724206) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79724206
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCCN1CCC(NC2CCc3cc(N)ccc32)CC1
InChIInChI=1S/C17H27N3/c1-2-9-20-10-7-15(8-11-20)19-17-6-3-13-12-14(18)4-5-16(13)17/h4-5,12,15,17,19H,2-3,6-11,18H2,1H3
InChIKeyOUXCWNLJKIYAKQ-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-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79724206) is 1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine is CCCN1CCC(NC2CCc3cc(N)ccc32)CC1.
What is the InChIKey of 1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is OUXCWNLJKIYAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-9-20-10-7-15(8-11-20)19-17-6-3-13-12-14(18)4-5-16(13)17/h4-5,12,15,17,19H,2-3,6-11,18H2,1H3.
What are the key properties of 1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(1-propylpiperidin-4-yl)-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-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79724206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).