1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C13H24N2O — CID 168853043

IUPAC1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)(C)CCC12CC1(C)CC(C(N)=O)N2
InChIInChI=1S/C13H24N2O/c1-11(2,3)5-6-13-8-12(13,4)7-9(15-13)10(14)16/h9,15H,5-8H2,1-4H3,(H2,14,16)
InChIKeyYNDLPCCDLDELHI-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.81
Rot. Bonds3

About 1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 168853043) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID168853043
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)(C)CCC12CC1(C)CC(C(N)=O)N2
InChIInChI=1S/C13H24N2O/c1-11(2,3)5-6-13-8-12(13,4)7-9(15-13)10(14)16/h9,15H,5-8H2,1-4H3,(H2,14,16)
InChIKeyYNDLPCCDLDELHI-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 66735461
1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 153456737
1-(3-Fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459682
1-[(3-Fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459705
1-(2,2-Difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459711
1-(2-Fluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459729
1-(3,3-Difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168853038
(2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one
CID 53254510
(5-Cyclopropylpyrrolidin-2-yl)-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 166272960
4-Ethyl-7,7-dimethyl-6-propyl-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 21354406
3-tert-butyl-6-(tert-butylamino)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 57612754
(1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 59235764

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 168853043) is 1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC(C)(C)CCC12CC1(C)CC(C(N)=O)N2.
What is the InChIKey of 1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is YNDLPCCDLDELHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2,3)5-6-13-8-12(13,4)7-9(15-13)10(14)16/h9,15H,5-8H2,1-4H3,(H2,14,16).
What are the key properties of 1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 168853043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).