1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine

C14H21N — CID 79413170

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine
SMILESCCCCC(N)CC1Cc2ccccc21
InChIInChI=1S/C14H21N/c1-2-3-7-13(15)10-12-9-11-6-4-5-8-14(11)12/h4-6,8,12-13H,2-3,7,9-10,15H2,1H3
InChIKeyPKCZRVJUXXGXPY-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.23
Rot. Bonds5

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine (PubChem CID 79413170) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine
PubChem CID79413170
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine
SMILESCCCCC(N)CC1Cc2ccccc21
InChIInChI=1S/C14H21N/c1-2-3-7-13(15)10-12-9-11-6-4-5-8-14(11)12/h4-6,8,12-13H,2-3,7,9-10,15H2,1H3
InChIKeyPKCZRVJUXXGXPY-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)nonan-2-ylhydrazine
CID 105319320
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine
CID 105319335
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-2-amine
CID 103028488
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-(2-methylphenyl)sulfanylpropan-2-amine
CID 66397190
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine
CID 23382324
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)heptan-1-amine
CID 54922061
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol
CID 115816723
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
CID 106702789
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66396805
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79059857

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine (CID 79413170) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine is CCCCC(N)CC1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine?
The InChIKey is PKCZRVJUXXGXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-7-13(15)10-12-9-11-6-4-5-8-14(11)12/h4-6,8,12-13H,2-3,7,9-10,15H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine has a molecular weight of 203.33 g/mol, XLogP of 3.23, 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)hexan-2-amine is sourced from PubChem (CID 79413170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).