N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine

C19H31N — CID 107001032

IUPACN-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)c(C)c(C)c(C)c1C)C1CC1(C)C
InChIInChI=1S/C19H31N/c1-9-20-18(16-10-19(16,7)8)17-14(5)12(3)11(2)13(4)15(17)6/h16,18,20H,9-10H2,1-8H3
InChIKeyQYWWRAFHFASSDG-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.93
Rot. Bonds4

About N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine

N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine (PubChem CID 107001032) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
PubChem CID107001032
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)c(C)c(C)c(C)c1C)C1CC1(C)C
InChIInChI=1S/C19H31N/c1-9-20-18(16-10-19(16,7)8)17-14(5)12(3)11(2)13(4)15(17)6/h16,18,20H,9-10H2,1-8H3
InChIKeyQYWWRAFHFASSDG-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
CID 43489814
N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001196
N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107001147
N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107004233
N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 107004419
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-methylpropan-1-amine
CID 107004101
N-[(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001432
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001028
N-[(5-bromo-2-methoxy-3,6-dimethylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001381
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107005025
N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001033
N-[(2,2-dimethylcyclopropyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine
CID 107001259

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine (CID 107001032) is N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine is CCNC(c1c(C)c(C)c(C)c(C)c1C)C1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine?
The InChIKey is QYWWRAFHFASSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-9-20-18(16-10-19(16,7)8)17-14(5)12(3)11(2)13(4)15(17)6/h16,18,20H,9-10H2,1-8H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine?
N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine is sourced from PubChem (CID 107001032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).