N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine

C16H33N — CID 102904275

IUPACN-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNC(C)C1CCCCC1)C(C)C
InChIInChI=1S/C16H33N/c1-12(2)16(13(3)4)11-17-14(5)15-9-7-6-8-10-15/h12-17H,6-11H2,1-5H3
InChIKeyFWGVZLNJIVIRFN-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.47
Rot. Bonds6

About N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine

N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102904275) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102904275
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNC(C)C1CCCCC1)C(C)C
InChIInChI=1S/C16H33N/c1-12(2)16(13(3)4)11-17-14(5)15-9-7-6-8-10-15/h12-17H,6-11H2,1-5H3
InChIKeyFWGVZLNJIVIRFN-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382
(2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine
CID 94431803
(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
N-(1-cyclopentylethyl)-2-piperidin-1-ylpropan-1-amine
CID 62632654
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
5-(1-cyclohexylethylamino)-4-methylpentan-2-ol
CID 111755682
1-cyclopentyl-N-ethylethanamine
CID 60819244
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile
CID 81385869
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine (CID 102904275) is N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNC(C)C1CCCCC1)C(C)C.
What is the InChIKey of N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is FWGVZLNJIVIRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-12(2)16(13(3)4)11-17-14(5)15-9-7-6-8-10-15/h12-17H,6-11H2,1-5H3.
What are the key properties of N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).