(3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one

C18H28N2O — CID 118234401

IUPAC(3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
SMILESC=C1CCCC(N2C(=O)C3(CCC(N)CC3)C[C@H]2C)=C1C
InChIInChI=1S/C18H28N2O/c1-12-5-4-6-16(14(12)3)20-13(2)11-18(17(20)21)9-7-15(19)8-10-18/h13,15H,1,4-11,19H2,2-3H3/t13-,15?,18?/m1/s1
InChIKeyYQEVCGGOUHNFPD-MJJDPTRDSA-N
MW288.44 g/mol
LogP3.51
Rot. Bonds1

About (3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one

(3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 118234401) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID118234401
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
SMILESC=C1CCCC(N2C(=O)C3(CCC(N)CC3)C[C@H]2C)=C1C
InChIInChI=1S/C18H28N2O/c1-12-5-4-6-16(14(12)3)20-13(2)11-18(17(20)21)9-7-15(19)8-10-18/h13,15H,1,4-11,19H2,2-3H3/t13-,15?,18?/m1/s1
InChIKeyYQEVCGGOUHNFPD-MJJDPTRDSA-N
XLogP3.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234281
8-Amino-8-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234282
8-Amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234323
(3R)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234389
8-Amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234391
8-Cyclopent-1-enyl-8-dimethylamino-2-azaspiro[4.5]decan-1-one
CID 118662121
2-(2-Methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one
CID 135212514
CID 144882870
CID 144882870
2-(3-Aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
CID 144998227
8-Cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
CID 144998270

Frequently Asked Questions

What is the IUPAC name of (3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of (3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one (CID 118234401) is (3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for (3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for (3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one is C=C1CCCC(N2C(=O)C3(CCC(N)CC3)C[C@H]2C)=C1C.
What is the InChIKey of (3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is YQEVCGGOUHNFPD-MJJDPTRDSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-5-4-6-16(14(12)3)20-13(2)11-18(17(20)21)9-7-15(19)8-10-18/h13,15H,1,4-11,19H2,2-3H3/t13-,15?,18?/m1/s1.
What are the key properties of (3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
(3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118234401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).