2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine

C13H29NO — CID 139652139

IUPAC2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine
SMILESCOCC(CC(C)C)(CN(C)C)C(C)C
InChIInChI=1S/C13H29NO/c1-11(2)8-13(10-15-7,12(3)4)9-14(5)6/h11-12H,8-10H2,1-7H3
InChIKeyNKLLQGJXQDRIDL-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.88
Rot. Bonds7

About 2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine

2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine (PubChem CID 139652139) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine
PubChem CID139652139
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine
SMILESCOCC(CC(C)C)(CN(C)C)C(C)C
InChIInChI=1S/C13H29NO/c1-11(2)8-13(10-15-7,12(3)4)9-14(5)6/h11-12H,8-10H2,1-7H3
InChIKeyNKLLQGJXQDRIDL-UHFFFAOYSA-N
XLogP2.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine (CID 139652139) is 2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine is COCC(CC(C)C)(CN(C)C)C(C)C.
What is the InChIKey of 2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine?
The InChIKey is NKLLQGJXQDRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2)8-13(10-15-7,12(3)4)9-14(5)6/h11-12H,8-10H2,1-7H3.
What are the key properties of 2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine?
2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N,N,4-trimethyl-2-propan-2-ylpentan-1-amine is sourced from PubChem (CID 139652139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).