1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine

C18H28N2O — CID 79057593

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(N)CC1Cc2ccccc21)N1CCOCC1
InChIInChI=1S/C18H28N2O/c1-3-18(2,20-8-10-21-11-9-20)17(19)13-15-12-14-6-4-5-7-16(14)15/h4-7,15,17H,3,8-13,19H2,1-2H3
InChIKeyXCKFYWWDXBZMDQ-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.54
Rot. Bonds5

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine (PubChem CID 79057593) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
PubChem CID79057593
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(N)CC1Cc2ccccc21)N1CCOCC1
InChIInChI=1S/C18H28N2O/c1-3-18(2,20-8-10-21-11-9-20)17(19)13-15-12-14-6-4-5-7-16(14)15/h4-7,15,17H,3,8-13,19H2,1-2H3
InChIKeyXCKFYWWDXBZMDQ-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine with MolForge

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Related Compounds

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine
CID 105240192
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-amine
CID 79065628
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79054173
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79059857
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79065554
3-(2-amino-3-methyl-3-morpholin-4-ylpentyl)pyridin-2-amine
CID 79065403
3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 79824283
3-methyl-3-morpholin-4-ylnonan-4-amine
CID 79065779
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315016
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-2-amine
CID 103028488
1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 102857723
1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79057606

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine (CID 79057593) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine is CCC(C)(C(N)CC1Cc2ccccc21)N1CCOCC1.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The InChIKey is XCKFYWWDXBZMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-18(2,20-8-10-21-11-9-20)17(19)13-15-12-14-6-4-5-7-16(14)15/h4-7,15,17H,3,8-13,19H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine has a molecular weight of 288.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylpentan-2-amine is sourced from PubChem (CID 79057593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).