(1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine

C20H26N4 — CID 97400369

IUPAC(1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
SMILESCc1cnc(N2CCC3(CC2)C[C@@H](N(C)C)c2ccccc23)nc1
InChIInChI=1S/C20H26N4/c1-15-13-21-19(22-14-15)24-10-8-20(9-11-24)12-18(23(2)3)16-6-4-5-7-17(16)20/h4-7,13-14,18H,8-12H2,1-3H3/t18-/m1/s1
InChIKeyXVNTZBSHYWDDQQ-GOSISDBHSA-N
MW322.46 g/mol
LogP3.33
Rot. Bonds2

About (1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine

(1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine (PubChem CID 97400369) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
PubChem CID97400369
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name(1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
SMILESCc1cnc(N2CCC3(CC2)C[C@@H](N(C)C)c2ccccc23)nc1
InChIInChI=1S/C20H26N4/c1-15-13-21-19(22-14-15)24-10-8-20(9-11-24)12-18(23(2)3)16-6-4-5-7-17(16)20/h4-7,13-14,18H,8-12H2,1-3H3/t18-/m1/s1
InChIKeyXVNTZBSHYWDDQQ-GOSISDBHSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The IUPAC name of (1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine (CID 97400369) is (1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine.
What is the SMILES notation for (1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The canonical SMILES for (1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine is Cc1cnc(N2CCC3(CC2)C[C@@H](N(C)C)c2ccccc23)nc1.
What is the InChIKey of (1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The InChIKey is XVNTZBSHYWDDQQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4/c1-15-13-21-19(22-14-15)24-10-8-20(9-11-24)12-18(23(2)3)16-6-4-5-7-17(16)20/h4-7,13-14,18H,8-12H2,1-3H3/t18-/m1/s1.
What are the key properties of (1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
(1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine has a molecular weight of 322.46 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine is sourced from PubChem (CID 97400369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).