1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine

C16H26N2 — CID 79053194

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
SMILESCNC(CC1Cc2ccccc21)C(C)(C)N(C)C
InChIInChI=1S/C16H26N2/c1-16(2,18(4)5)15(17-3)11-13-10-12-8-6-7-9-14(12)13/h6-9,13,15,17H,10-11H2,1-5H3
InChIKeyRKMTUGLYDANJCJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.64
Rot. Bonds5

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine (PubChem CID 79053194) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
PubChem CID79053194
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
SMILESCNC(CC1Cc2ccccc21)C(C)(C)N(C)C
InChIInChI=1S/C16H26N2/c1-16(2,18(4)5)15(17-3)11-13-10-12-8-6-7-9-14(12)13/h6-9,13,15,17H,10-11H2,1-5H3
InChIKeyRKMTUGLYDANJCJ-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197333
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-phenylethanamine
CID 66419580
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N,3-diethyl-3-methoxypentan-2-amine
CID 116761230
N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine
CID 115812436
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
CID 105003374
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 105003394
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine
CID 105240192
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,3-dimethylbutan-2-amine
CID 115716884
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-difluorophenyl)-N-methylethanamine
CID 66418218
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-thiophen-3-ylethanamine
CID 66418209

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine (CID 79053194) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine is CNC(CC1Cc2ccccc21)C(C)(C)N(C)C.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine?
The InChIKey is RKMTUGLYDANJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,18(4)5)15(17-3)11-13-10-12-8-6-7-9-14(12)13/h6-9,13,15,17H,10-11H2,1-5H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine is sourced from PubChem (CID 79053194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).