N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine

C18H29N — CID 23382324

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine
SMILESCCCCCCCCN(C)CC1Cc2ccccc21
InChIInChI=1S/C18H29N/c1-3-4-5-6-7-10-13-19(2)15-17-14-16-11-8-9-12-18(16)17/h8-9,11-12,17H,3-7,10,13-15H2,1-2H3
InChIKeyCFSPUFYXARZXQK-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.62
Rot. Bonds9

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine (PubChem CID 23382324) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine
PubChem CID23382324
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine
SMILESCCCCCCCCN(C)CC1Cc2ccccc21
InChIInChI=1S/C18H29N/c1-3-4-5-6-7-10-13-19(2)15-17-14-16-11-8-9-12-18(16)17/h8-9,11-12,17H,3-7,10,13-15H2,1-2H3
InChIKeyCFSPUFYXARZXQK-UHFFFAOYSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 80567043
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine
CID 54922061
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-chloroethyl)propan-1-amine
CID 66394694
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine
CID 79413170
N-methyl-N-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine
CID 125481800
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262509
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)nonan-2-ylhydrazine
CID 105319320
N-methyl-N-pentyl-1-phenylsulfanyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 19075676
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol
CID 66395652
1-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 66395086

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine (CID 23382324) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine is CCCCCCCCN(C)CC1Cc2ccccc21.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine?
The InChIKey is CFSPUFYXARZXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-4-5-6-7-10-13-19(2)15-17-14-16-11-8-9-12-18(16)17/h8-9,11-12,17H,3-7,10,13-15H2,1-2H3.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine is sourced from PubChem (CID 23382324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).