N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine

C17H25N — CID 115789774

IUPACN-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)C1C2CCCCC21
InChIInChI=1S/C17H25N/c1-3-18-17(13-8-6-7-12(2)11-13)16-14-9-4-5-10-15(14)16/h6-8,11,14-18H,3-5,9-10H2,1-2H3
InChIKeyCUGANAJMAMMEOP-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.08
Rot. Bonds4

About N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine

N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine (PubChem CID 115789774) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine
PubChem CID115789774
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)C1C2CCCCC21
InChIInChI=1S/C17H25N/c1-3-18-17(13-8-6-7-12(2)11-13)16-14-9-4-5-10-15(14)16/h6-8,11,14-18H,3-5,9-10H2,1-2H3
InChIKeyCUGANAJMAMMEOP-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811298
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 64774201
N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine
CID 115798984
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine
CID 115791823
N-[6-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799612
N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045128
N-[(3-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]ethanamine
CID 105090908
N-[(3-methyl-1,4-dithian-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 115387103
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402

Frequently Asked Questions

What is the IUPAC name of N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine (CID 115789774) is N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)C1C2CCCCC21.
What is the InChIKey of N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine?
The InChIKey is CUGANAJMAMMEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-18-17(13-8-6-7-12(2)11-13)16-14-9-4-5-10-15(14)16/h6-8,11,14-18H,3-5,9-10H2,1-2H3.
What are the key properties of N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine?
N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine has a molecular weight of 243.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115789774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).