N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine

C18H20N2 — CID 97055666

IUPACN-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
SMILESc1cncc(CNC[C@H]2C[C@]23CCc2ccccc23)c1
InChIInChI=1S/C18H20N2/c1-2-6-17-15(5-1)7-8-18(17)10-16(18)13-20-12-14-4-3-9-19-11-14/h1-6,9,11,16,20H,7-8,10,12-13H2/t16-,18-/m1/s1
InChIKeyKNMOQTNSJQRXJG-SJLPKXTDSA-N
MW264.37 g/mol
LogP3.08
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine

N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine (PubChem CID 97055666) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
PubChem CID97055666
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
SMILESc1cncc(CNC[C@H]2C[C@]23CCc2ccccc23)c1
InChIInChI=1S/C18H20N2/c1-2-6-17-15(5-1)7-8-18(17)10-16(18)13-20-12-14-4-3-9-19-11-14/h1-6,9,11,16,20H,7-8,10,12-13H2/t16-,18-/m1/s1
InChIKeyKNMOQTNSJQRXJG-SJLPKXTDSA-N
XLogP3.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine
CID 99695886
N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
CID 97051894
N-(pyridin-3-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 122463380
[5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol
CID 97055664
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
CID 62707821
N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 115757833
[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
CID 94557979
N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97051911
2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine
CID 62712841
1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
2-(1H-pyrazol-5-yl)-N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide
CID 97222942
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine?
The IUPAC name of N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine (CID 97055666) is N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine is c1cncc(CNC[C@H]2C[C@]23CCc2ccccc23)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine?
The InChIKey is KNMOQTNSJQRXJG-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-6-17-15(5-1)7-8-18(17)10-16(18)13-20-12-14-4-3-9-19-11-14/h1-6,9,11,16,20H,7-8,10,12-13H2/t16-,18-/m1/s1.
What are the key properties of N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine?
N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine is sourced from PubChem (CID 97055666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).