3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine

C17H27N3 — CID 114515188

IUPAC3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
SMILESCN1CCC(CCNC2CC(N)c3ccccc32)CC1
InChIInChI=1S/C17H27N3/c1-20-10-7-13(8-11-20)6-9-19-17-12-16(18)14-4-2-3-5-15(14)17/h2-5,13,16-17,19H,6-12,18H2,1H3
InChIKeyNPBLZYCKIMACGZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.45
Rot. Bonds4

About 3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine

3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine (PubChem CID 114515188) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
PubChem CID114515188
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
SMILESCN1CCC(CCNC2CC(N)c3ccccc32)CC1
InChIInChI=1S/C17H27N3/c1-20-10-7-13(8-11-20)6-9-19-17-12-16(18)14-4-2-3-5-15(14)17/h2-5,13,16-17,19H,6-12,18H2,1H3
InChIKeyNPBLZYCKIMACGZ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine?
The IUPAC name of 3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine (CID 114515188) is 3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine.
What is the SMILES notation for 3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine?
The canonical SMILES for 3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine is CN1CCC(CCNC2CC(N)c3ccccc32)CC1.
What is the InChIKey of 3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine?
The InChIKey is NPBLZYCKIMACGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-20-10-7-13(8-11-20)6-9-19-17-12-16(18)14-4-2-3-5-15(14)17/h2-5,13,16-17,19H,6-12,18H2,1H3.
What are the key properties of 3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine?
3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine has a molecular weight of 273.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine is sourced from PubChem (CID 114515188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).