N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine

C16H33NO — CID 81030062

IUPACN-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCCC1CCC(CNC(C)(C)C)C(COC)C1
InChIInChI=1S/C16H33NO/c1-6-7-13-8-9-14(11-17-16(2,3)4)15(10-13)12-18-5/h13-15,17H,6-12H2,1-5H3
InChIKeyZMVFXNZJHXPVSE-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds6

About N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81030062) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81030062
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCCC1CCC(CNC(C)(C)C)C(COC)C1
InChIInChI=1S/C16H33NO/c1-6-7-13-8-9-14(11-17-16(2,3)4)15(10-13)12-18-5/h13-15,17H,6-12H2,1-5H3
InChIKeyZMVFXNZJHXPVSE-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81025982
2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 83148411
N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030307
2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81025989
1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 81031850
N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82935432
N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030544
1-(methoxymethyl)-2-propylcyclopropane
CID 123484711
2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029546
N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 103415897
N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030105
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
CID 81033652

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 81030062) is N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine is CCCC1CCC(CNC(C)(C)C)C(COC)C1.
What is the InChIKey of N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZMVFXNZJHXPVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-7-13-8-9-14(11-17-16(2,3)4)15(10-13)12-18-5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81030062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).