N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C15H22N2O — CID 80696358

IUPACN-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCCCCC(CN)NC(=O)C1Cc2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-3-7-12(10-16)17-15(18)14-9-11-6-4-5-8-13(11)14/h4-6,8,12,14H,2-3,7,9-10,16H2,1H3,(H,17,18)
InChIKeyPVAAPHDFJMVNPT-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.96
Rot. Bonds6

About N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 80696358) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID80696358
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCCCCC(CN)NC(=O)C1Cc2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-3-7-12(10-16)17-15(18)14-9-11-6-4-5-8-13(11)14/h4-6,8,12,14H,2-3,7,9-10,16H2,1H3,(H,17,18)
InChIKeyPVAAPHDFJMVNPT-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80697516
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119667796
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-1-one
CID 64986591
N-(1-chloro-4-methoxybutan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 114211890
N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63755728
N-(1-chloro-4-methylpentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113272455
N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119666795
N-(3-amino-2-methylpropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395688
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)pentanoic acid
CID 66394930
N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 115648847
N-(1-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127262
2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)propanoic acid
CID 66396862

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 80696358) is N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CCCCC(CN)NC(=O)C1Cc2ccccc21.
What is the InChIKey of N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is PVAAPHDFJMVNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-7-12(10-16)17-15(18)14-9-11-6-4-5-8-13(11)14/h4-6,8,12,14H,2-3,7,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 80696358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).