2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine

C12H27NO — CID 139652137

IUPAC2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine
SMILESCOCC(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C12H27NO/c1-10(2)6-12(8-13,9-14-5)7-11(3)4/h10-11H,6-9,13H2,1-5H3
InChIKeyKBIJMALMIMBTBR-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.67
Rot. Bonds7

About 2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine

2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine (PubChem CID 139652137) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine
PubChem CID139652137
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine
SMILESCOCC(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C12H27NO/c1-10(2)6-12(8-13,9-14-5)7-11(3)4/h10-11H,6-9,13H2,1-5H3
InChIKeyKBIJMALMIMBTBR-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(Methoxymethyl)cycloheptyl]methanamine
CID 83905890
1-[1-(Methoxymethyl)-3-methylcyclobutyl]methanamine
CID 119055112
[1-(Methoxymethyl)cyclohexyl]methanamine
CID 17951250
1-[1-(Methoxymethyl)cyclopentyl]methanamine
CID 28064729
[3-(2-Methylpropyl)oxetan-3-yl]methanamine
CID 83479203
2-Cyclopentyl-3-methoxy-2-methylpropan-1-amine
CID 84109029
2-Cyclohexyl-3-methoxy-2-methylpropan-1-amine
CID 84111750
2-(Aminomethyl)-4-methyl-2-(2-methylpropyl)pentan-1-ol
CID 87384396
5-(Methoxymethyl)heptan-1-amine
CID 89131391
2-(Ethoxymethyl)-4-methyl-2-propylpentan-1-amine
CID 91542550
[1-(Ethoxymethyl)cyclohexyl]methanamine
CID 103984440
2-(Methoxymethyl)-2-methylpentan-1-amine
CID 103984443

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine (CID 139652137) is 2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine is COCC(CN)(CC(C)C)CC(C)C.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine?
The InChIKey is KBIJMALMIMBTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(2)6-12(8-13,9-14-5)7-11(3)4/h10-11H,6-9,13H2,1-5H3.
What are the key properties of 2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine?
2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 139652137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).