1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine

C16H31N — CID 113383565

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(C(CC)CC)C1CC2CCC1C2
InChIInChI=1S/C16H31N/c1-4-9-17-16(13(5-2)6-3)15-11-12-7-8-14(15)10-12/h12-17H,4-11H2,1-3H3
InChIKeyILIYEWYKXKMBNL-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds7

About 1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine

1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine (PubChem CID 113383565) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine
PubChem CID113383565
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(C(CC)CC)C1CC2CCC1C2
InChIInChI=1S/C16H31N/c1-4-9-17-16(13(5-2)6-3)15-11-12-7-8-14(15)10-12/h12-17H,4-11H2,1-3H3
InChIKeyILIYEWYKXKMBNL-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114245869
N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine
CID 114245961
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine
CID 60668799
2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine
CID 112681595
N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105406929
N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 63021630
N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503991
N-[2-bicyclo[2.2.1]heptanyl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 63504191
N-[2-bicyclo[2.2.1]heptanyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63502670
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807622
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 102828861

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine (CID 113383565) is 1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine is CCCNC(C(CC)CC)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine?
The InChIKey is ILIYEWYKXKMBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-9-17-16(13(5-2)6-3)15-11-12-7-8-14(15)10-12/h12-17H,4-11H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine?
1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 113383565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).