1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine

C13H25NO — CID 105054829

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)C1C2CCCCC21
InChIInChI=1S/C13H25NO/c1-14-12(8-5-9-15-2)13-10-6-3-4-7-11(10)13/h10-14H,3-9H2,1-2H3
InChIKeyYFWBQKQGWJEGMK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds6

About 1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine

1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine (PubChem CID 105054829) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine
PubChem CID105054829
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)C1C2CCCCC21
InChIInChI=1S/C13H25NO/c1-14-12(8-5-9-15-2)13-10-6-3-4-7-11(10)13/h10-14H,3-9H2,1-2H3
InChIKeyYFWBQKQGWJEGMK-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
CID 114856649
4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine
CID 105055058
1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104564643
4-methoxy-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
CID 115626673
1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine
CID 105007901
4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine
CID 114855994
1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
CID 104648397
(1-cyclohexyl-1-ethoxy-5-methoxypentan-2-yl)hydrazine
CID 105278914
1-(7-bicyclo[4.1.0]heptanyl)octylhydrazine
CID 105293611
1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928168
1-(2-ethylcyclohexyl)-4-methoxy-N-propylbutan-1-amine
CID 65092174
N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine
CID 107191489

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine (CID 105054829) is 1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine is CNC(CCCOC)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine?
The InChIKey is YFWBQKQGWJEGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-14-12(8-5-9-15-2)13-10-6-3-4-7-11(10)13/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine?
1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 105054829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).