2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine

C18H37NO — CID 81029546

IUPAC2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESCCCC1CCC(CNCC(C)C)C(COC(C)C)C1
InChIInChI=1S/C18H37NO/c1-6-7-16-8-9-17(12-19-11-14(2)3)18(10-16)13-20-15(4)5/h14-19H,6-13H2,1-5H3
InChIKeyDOYCBXUALCIQTD-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.49
Rot. Bonds9

About 2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine

2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine (PubChem CID 81029546) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine
PubChem CID81029546
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESCCCC1CCC(CNCC(C)C)C(COC(C)C)C1
InChIInChI=1S/C18H37NO/c1-6-7-16-8-9-17(12-19-11-14(2)3)18(10-16)13-20-15(4)5/h14-19H,6-13H2,1-5H3
InChIKeyDOYCBXUALCIQTD-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81025880
N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029901
N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029529
N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029297
2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 81030526
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114477759
N-[(4-butylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 63505259
N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
CID 82935925
N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030062
2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62458043
N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033006

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine (CID 81029546) is 2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine is CCCC1CCC(CNCC(C)C)C(COC(C)C)C1.
What is the InChIKey of 2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The InChIKey is DOYCBXUALCIQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-7-16-8-9-17(12-19-11-14(2)3)18(10-16)13-20-15(4)5/h14-19H,6-13H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine?
2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81029546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).