N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine

C15H29N — CID 123140484

IUPACN-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine
SMILESCCC(C)N(CC)CC1(CC)CC2CC21C
InChIInChI=1S/C15H29N/c1-6-12(4)16(8-3)11-15(7-2)10-13-9-14(13,15)5/h12-13H,6-11H2,1-5H3
InChIKeyFEOSGUMDWXGLII-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.93
Rot. Bonds6

About N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine

N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine (PubChem CID 123140484) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine
PubChem CID123140484
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine
SMILESCCC(C)N(CC)CC1(CC)CC2CC21C
InChIInChI=1S/C15H29N/c1-6-12(4)16(8-3)11-15(7-2)10-13-9-14(13,15)5/h12-13H,6-11H2,1-5H3
InChIKeyFEOSGUMDWXGLII-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine with MolForge

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Related Compounds

N-ethyl-N-(2-methylpropyl)butan-2-amine
CID 54537801
N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63483648
(1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine
CID 125477604
(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol
CID 103934940
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine
CID 60868279
2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine
CID 62614684
1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine
CID 79842033
N,N-dipropylbutan-2-amine
CID 524229
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 63914297
1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine
CID 64676910

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine?
The IUPAC name of N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine (CID 123140484) is N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine.
What is the SMILES notation for N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine?
The canonical SMILES for N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine is CCC(C)N(CC)CC1(CC)CC2CC21C.
What is the InChIKey of N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine?
The InChIKey is FEOSGUMDWXGLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-6-12(4)16(8-3)11-15(7-2)10-13-9-14(13,15)5/h12-13H,6-11H2,1-5H3.
What are the key properties of N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine?
N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine has a molecular weight of 223.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine is sourced from PubChem (CID 123140484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).