N-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

C16H21ClN2 — CID 122463467

IUPACN-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESClc1ccc2c(c1)C1(CC2)CC1NCCC1CNC1
InChIInChI=1S/C16H21ClN2/c17-13-2-1-12-3-5-16(14(12)7-13)8-15(16)19-6-4-11-9-18-10-11/h1-2,7,11,15,18-19H,3-6,8-10H2
InChIKeyHOZRKHXGEVVWCM-UHFFFAOYSA-N
MW276.81 g/mol
LogP2.50
Rot. Bonds4

About N-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

N-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 122463467) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID122463467
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESClc1ccc2c(c1)C1(CC2)CC1NCCC1CNC1
InChIInChI=1S/C16H21ClN2/c17-13-2-1-12-3-5-16(14(12)7-13)8-15(16)19-6-4-11-9-18-10-11/h1-2,7,11,15,18-19H,3-6,8-10H2
InChIKeyHOZRKHXGEVVWCM-UHFFFAOYSA-N
XLogP2.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 122463467) is N-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is Clc1ccc2c(c1)C1(CC2)CC1NCCC1CNC1.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is HOZRKHXGEVVWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c17-13-2-1-12-3-5-16(14(12)7-13)8-15(16)19-6-4-11-9-18-10-11/h1-2,7,11,15,18-19H,3-6,8-10H2.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
N-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 276.81 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 122463467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).