1-cyclooctyl-3-methyl-N-propylbutan-1-amine

C16H33N — CID 80611346

IUPAC1-cyclooctyl-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)C1CCCCCCC1
InChIInChI=1S/C16H33N/c1-4-12-17-16(13-14(2)3)15-10-8-6-5-7-9-11-15/h14-17H,4-13H2,1-3H3
InChIKeyAUBXBGKOEMCGQY-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds6

About 1-cyclooctyl-3-methyl-N-propylbutan-1-amine

1-cyclooctyl-3-methyl-N-propylbutan-1-amine (PubChem CID 80611346) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-cyclooctyl-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-cyclooctyl-3-methyl-N-propylbutan-1-amine
PubChem CID80611346
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-cyclooctyl-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)C1CCCCCCC1
InChIInChI=1S/C16H33N/c1-4-12-17-16(13-14(2)3)15-10-8-6-5-7-9-11-15/h14-17H,4-13H2,1-3H3
InChIKeyAUBXBGKOEMCGQY-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine
CID 59085001
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089211
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105080973
(1-cycloheptyl-3-methylbutyl)hydrazine
CID 105198928
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-cyclooctyl-3-methyl-N-propylbutan-1-amine (CID 80611346) is 1-cyclooctyl-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-cyclooctyl-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-cyclooctyl-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)C)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-3-methyl-N-propylbutan-1-amine?
The InChIKey is AUBXBGKOEMCGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-12-17-16(13-14(2)3)15-10-8-6-5-7-9-11-15/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-cyclooctyl-3-methyl-N-propylbutan-1-amine?
1-cyclooctyl-3-methyl-N-propylbutan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 80611346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).