N-ethyl-4-methoxy-2-methylheptan-2-amine

C11H25NO — CID 163913978

IUPACN-ethyl-4-methoxy-2-methylheptan-2-amine
SMILESCCCC(CC(C)(C)NCC)OC
InChIInChI=1S/C11H25NO/c1-6-8-10(13-5)9-11(3,4)12-7-2/h10,12H,6-9H2,1-5H3
InChIKeyQUPYESGJRYILCR-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds7

About N-ethyl-4-methoxy-2-methylheptan-2-amine

N-ethyl-4-methoxy-2-methylheptan-2-amine (PubChem CID 163913978) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-ethyl-4-methoxy-2-methylheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-2-methylheptan-2-amine
PubChem CID163913978
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-ethyl-4-methoxy-2-methylheptan-2-amine
SMILESCCCC(CC(C)(C)NCC)OC
InChIInChI=1S/C11H25NO/c1-6-8-10(13-5)9-11(3,4)12-7-2/h10,12H,6-9H2,1-5H3
InChIKeyQUPYESGJRYILCR-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-2-methylheptan-2-amine?
The IUPAC name of N-ethyl-4-methoxy-2-methylheptan-2-amine (CID 163913978) is N-ethyl-4-methoxy-2-methylheptan-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-2-methylheptan-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-2-methylheptan-2-amine is CCCC(CC(C)(C)NCC)OC.
What is the InChIKey of N-ethyl-4-methoxy-2-methylheptan-2-amine?
The InChIKey is QUPYESGJRYILCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-8-10(13-5)9-11(3,4)12-7-2/h10,12H,6-9H2,1-5H3.
What are the key properties of N-ethyl-4-methoxy-2-methylheptan-2-amine?
N-ethyl-4-methoxy-2-methylheptan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-2-methylheptan-2-amine is sourced from PubChem (CID 163913978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).