N-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

C16H21ClN2 — CID 122463472

IUPACN-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESNCC1CC(NC2CC23CCc2ccc(Cl)cc23)C1
InChIInChI=1S/C16H21ClN2/c17-12-2-1-11-3-4-16(14(11)7-12)8-15(16)19-13-5-10(6-13)9-18/h1-2,7,10,13,15,19H,3-6,8-9,18H2
InChIKeyTXQXYHPWILCAGG-UHFFFAOYSA-N
MW276.81 g/mol
LogP2.62
Rot. Bonds3

About N-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

N-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 122463472) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID122463472
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESNCC1CC(NC2CC23CCc2ccc(Cl)cc23)C1
InChIInChI=1S/C16H21ClN2/c17-12-2-1-11-3-4-16(14(11)7-12)8-15(16)19-13-5-10(6-13)9-18/h1-2,7,10,13,15,19H,3-6,8-9,18H2
InChIKeyTXQXYHPWILCAGG-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of N-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 122463472) is N-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for N-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for N-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is NCC1CC(NC2CC23CCc2ccc(Cl)cc23)C1.
What is the InChIKey of N-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is TXQXYHPWILCAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c17-12-2-1-11-3-4-16(14(11)7-12)8-15(16)19-13-5-10(6-13)9-18/h1-2,7,10,13,15,19H,3-6,8-9,18H2.
What are the key properties of N-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
N-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 276.81 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)cyclobutyl]-5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 122463472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).