4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine

C17H23ClN2 — CID 122463408

IUPAC4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CC23CCc2ccc(Cl)cc23)CC1
InChIInChI=1S/C17H23ClN2/c18-12-2-1-11-7-8-17(15(11)9-12)10-16(17)20-14-5-3-13(19)4-6-14/h1-2,9,13-14,16,20H,3-8,10,19H2
InChIKeyHJPVGKUASZCWLK-UHFFFAOYSA-N
MW290.84 g/mol
LogP3.16
Rot. Bonds2

About 4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine

4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine (PubChem CID 122463408) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine
PubChem CID122463408
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CC23CCc2ccc(Cl)cc23)CC1
InChIInChI=1S/C17H23ClN2/c18-12-2-1-11-7-8-17(15(11)9-12)10-16(17)20-14-5-3-13(19)4-6-14/h1-2,9,13-14,16,20H,3-8,10,19H2
InChIKeyHJPVGKUASZCWLK-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine (CID 122463408) is 4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine is NC1CCC(NC2CC23CCc2ccc(Cl)cc23)CC1.
What is the InChIKey of 4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine?
The InChIKey is HJPVGKUASZCWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c18-12-2-1-11-7-8-17(15(11)9-12)10-16(17)20-14-5-3-13(19)4-6-14/h1-2,9,13-14,16,20H,3-8,10,19H2.
What are the key properties of 4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine?
4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine has a molecular weight of 290.84 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 122463408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).