1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine

C15H21N — CID 66038287

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NC)C1Cc2ccccc21
InChIInChI=1S/C15H21N/c1-4-11(2)9-15(16-3)14-10-12-7-5-6-8-13(12)14/h5-8,14-16H,2,4,9-10H2,1,3H3
InChIKeyFNUKMCSVPNECNQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.27
Rot. Bonds5

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine (PubChem CID 66038287) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine
PubChem CID66038287
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NC)C1Cc2ccccc21
InChIInChI=1S/C15H21N/c1-4-11(2)9-15(16-3)14-10-12-7-5-6-8-13(12)14/h5-8,14-16H,2,4,9-10H2,1,3H3
InChIKeyFNUKMCSVPNECNQ-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-3-methylidenepentan-1-amine
CID 105163853
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-ethoxy-N-methylethanamine
CID 79575110
1-(2,3-dihydro-1H-inden-1-yl)-3-methylidene-N-propylpentan-1-amine
CID 66039008
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine
CID 64984494
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 64984397
N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 66039249
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine
CID 64984199
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol
CID 115817464
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine
CID 64984207
1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine
CID 66036840
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
CID 64987075
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-ethoxyethyl]hydrazine
CID 105224705

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine (CID 66038287) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine is C=C(CC)CC(NC)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine?
The InChIKey is FNUKMCSVPNECNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-11(2)9-15(16-3)14-10-12-7-5-6-8-13(12)14/h5-8,14-16H,2,4,9-10H2,1,3H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine is sourced from PubChem (CID 66038287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).