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

C16H33NO — CID 81030307

IUPACN-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCOCC1CC(C(C)C)CCC1CNC(C)(C)C
InChIInChI=1S/C16H33NO/c1-12(2)13-7-8-14(10-17-16(3,4)5)15(9-13)11-18-6/h12-15,17H,7-11H2,1-6H3
InChIKeyCDFBZMWNAJQWGC-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.71
Rot. Bonds5

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

N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81030307) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81030307
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCOCC1CC(C(C)C)CCC1CNC(C)(C)C
InChIInChI=1S/C16H33NO/c1-12(2)13-7-8-14(10-17-16(3,4)5)15(9-13)11-18-6/h12-15,17H,7-11H2,1-6H3
InChIKeyCDFBZMWNAJQWGC-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-methoxypropyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81031272
2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81031122
2-methyl-N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81026173
1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 103020146
2-methyl-N-[[2-(oxan-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 107138156
N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030599
1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 113437285
N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030544
2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81031384
N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 103415897
[4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine
CID 81012041
2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81024627

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 81030307) is N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine is COCC1CC(C(C)C)CCC1CNC(C)(C)C.
What is the InChIKey of N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is CDFBZMWNAJQWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-12(2)13-7-8-14(10-17-16(3,4)5)15(9-13)11-18-6/h12-15,17H,7-11H2,1-6H3.
What are the key properties of N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81030307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).