(1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one

C15H26N2O — CID 125495647

IUPAC(1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one
SMILESCN1C(=O)[C@H](N)[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H26N2O/c1-17-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(16)15(17)18/h10-14H,2-9,16H2,1H3/t10-,11-,12-,13-,14-/m1/s1
InChIKeyPKGATXGVSMIGRV-DHGKCCLASA-N
MW250.39 g/mol
LogP2.15
Rot. Bonds

About (1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one

(1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one (PubChem CID 125495647) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one.

Molecular Properties

Compound Name(1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one
PubChem CID125495647
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one
SMILESCN1C(=O)[C@H](N)[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H26N2O/c1-17-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(16)15(17)18/h10-14H,2-9,16H2,1H3/t10-,11-,12-,13-,14-/m1/s1
InChIKeyPKGATXGVSMIGRV-DHGKCCLASA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one with MolForge

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Related Compounds

11-methyl-11-azatricyclo[5.3.1.02,6]undecan-9-one
CID 121222238
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CID 167951497
10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one
CID 118943952
tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one
CID 58165480
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CID 142426255
2,6-dimethyl-2,6-diazabicyclo[3.2.0]heptan-7-one
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(1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione
CID 98162011
(3S)-3-amino-1-methylazepan-2-one
CID 14003483
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b]indol-4-amine
CID 90785164
3-tert-butyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 118424452
3-amino-1-methylazepan-2-one;hydrochloride
CID 67416250
4-[(1-methyl-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-3-yl)methylsulfonyl]butanenitrile
CID 162414908

Frequently Asked Questions

What is the IUPAC name of (1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one?
The IUPAC name of (1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one (CID 125495647) is (1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one.
What is the SMILES notation for (1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one?
The canonical SMILES for (1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one is CN1C(=O)[C@H](N)[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21.
What is the InChIKey of (1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one?
The InChIKey is PKGATXGVSMIGRV-DHGKCCLASA-N. The full InChI is InChI=1S/C15H26N2O/c1-17-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(16)15(17)18/h10-14H,2-9,16H2,1H3/t10-,11-,12-,13-,14-/m1/s1.
What are the key properties of (1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one?
(1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one has a molecular weight of 250.39 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one is sourced from PubChem (CID 125495647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).