5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine

C17H21N3 — CID 138494165

IUPAC5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine
SMILESNC1=C(CNC2CC23CCc2ccccc23)CCC=N1
InChIInChI=1S/C17H21N3/c18-16-13(5-3-9-19-16)11-20-15-10-17(15)8-7-12-4-1-2-6-14(12)17/h1-2,4,6,9,15,20H,3,5,7-8,10-11,18H2
InChIKeyZXZIQVFGLNTVAH-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.27
Rot. Bonds3

About 5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine

5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine (PubChem CID 138494165) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine.

Molecular Properties

Compound Name5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine
PubChem CID138494165
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine
SMILESNC1=C(CNC2CC23CCc2ccccc23)CCC=N1
InChIInChI=1S/C17H21N3/c18-16-13(5-3-9-19-16)11-20-15-10-17(15)8-7-12-4-1-2-6-14(12)17/h1-2,4,6,9,15,20H,3,5,7-8,10-11,18H2
InChIKeyZXZIQVFGLNTVAH-UHFFFAOYSA-N
XLogP2.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine with MolForge

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Related Compounds

(1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 129294066
N-(pyridin-3-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 122463380
(1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129285469
(1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129294099
(1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride
CID 129285061
N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine
CID 122442982
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclopropanamine
CID 62712616
spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrochloride
CID 71756685
[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
CID 94557979
N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 122463442
(1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 145339119
phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride
CID 129284793

Frequently Asked Questions

What is the IUPAC name of 5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine?
The IUPAC name of 5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine (CID 138494165) is 5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine.
What is the SMILES notation for 5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine?
The canonical SMILES for 5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine is NC1=C(CNC2CC23CCc2ccccc23)CCC=N1.
What is the InChIKey of 5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine?
The InChIKey is ZXZIQVFGLNTVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-16-13(5-3-9-19-16)11-20-15-10-17(15)8-7-12-4-1-2-6-14(12)17/h1-2,4,6,9,15,20H,3,5,7-8,10-11,18H2.
What are the key properties of 5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine?
5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine has a molecular weight of 267.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)methyl]-3,4-dihydropyridin-6-amine is sourced from PubChem (CID 138494165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).