N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine

C19H27N — CID 105044882

IUPACN-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)C1CC2CC2C1
InChIInChI=1S/C19H27N/c1-2-20-19(18-11-16-10-17(16)12-18)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,13,16-20H,2-5,10-12H2,1H3
InChIKeyTVMGSOAURUAEOW-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.65
Rot. Bonds5

About N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine

N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine (PubChem CID 105044882) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine
PubChem CID105044882
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)C1CC2CC2C1
InChIInChI=1S/C19H27N/c1-2-20-19(18-11-16-10-17(16)12-18)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,13,16-20H,2-5,10-12H2,1H3
InChIKeyTVMGSOAURUAEOW-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979
N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 116506203
N-[(4-cyclobutylphenyl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 116506328
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983
N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine
CID 115827057
N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799190
N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811418
N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830625
1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 116506399
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004

Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine (CID 105044882) is N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine is CCNC(c1ccc(C2CCC2)cc1)C1CC2CC2C1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine?
The InChIKey is TVMGSOAURUAEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-2-20-19(18-11-16-10-17(16)12-18)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,13,16-20H,2-5,10-12H2,1H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine?
N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine has a molecular weight of 269.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine is sourced from PubChem (CID 105044882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).