N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine

C18H35NO — CID 81029514

IUPACN-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(CNC(C)(C)C)C(C2CCOCC2)C1
InChIInChI=1S/C18H35NO/c1-5-14-6-7-16(13-19-18(2,3)4)17(12-14)15-8-10-20-11-9-15/h14-17,19H,5-13H2,1-4H3
InChIKeyYVMQYHLLVIWCMF-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.24
Rot. Bonds4

About N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81029514) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81029514
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(CNC(C)(C)C)C(C2CCOCC2)C1
InChIInChI=1S/C18H35NO/c1-5-14-6-7-16(13-19-18(2,3)4)17(12-14)15-8-10-20-11-9-15/h14-17,19H,5-13H2,1-4H3
InChIKeyYVMQYHLLVIWCMF-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 81029514) is N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine is CCC1CCC(CNC(C)(C)C)C(C2CCOCC2)C1.
What is the InChIKey of N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YVMQYHLLVIWCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-14-6-7-16(13-19-18(2,3)4)17(12-14)15-8-10-20-11-9-15/h14-17,19H,5-13H2,1-4H3.
What are the key properties of N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 281.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81029514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).