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

C16H25N — CID 54922061

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine
SMILESCCCCCCCNCC1Cc2ccccc21
InChIInChI=1S/C16H25N/c1-2-3-4-5-8-11-17-13-15-12-14-9-6-7-10-16(14)15/h6-7,9-10,15,17H,2-5,8,11-13H2,1H3
InChIKeyWYNLNJFJIGVGNO-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.89
Rot. Bonds8

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

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine (PubChem CID 54922061) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine
PubChem CID54922061
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine
SMILESCCCCCCCNCC1Cc2ccccc21
InChIInChI=1S/C16H25N/c1-2-3-4-5-8-11-17-13-15-12-14-9-6-7-10-16(14)15/h6-7,9-10,15,17H,2-5,8,11-13H2,1H3
InChIKeyWYNLNJFJIGVGNO-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-propoxypropan-1-amine
CID 82940467
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-methylbutan-2-ol
CID 79356097
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-bromoethanamine
CID 114505182
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-butylacetamide
CID 66396017
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pent-3-yn-1-amine
CID 104807157
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 66419100
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)hexan-1-amine
CID 45142695
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine
CID 23382324
N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine
CID 115568741
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 66418901
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536435

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine (CID 54922061) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine is CCCCCCCNCC1Cc2ccccc21.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine?
The InChIKey is WYNLNJFJIGVGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-2-3-4-5-8-11-17-13-15-12-14-9-6-7-10-16(14)15/h6-7,9-10,15,17H,2-5,8,11-13H2,1H3.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 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)heptan-1-amine is sourced from PubChem (CID 54922061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).