2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine

C11H25NO — CID 58303750

IUPAC2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine
SMILESCCC(CN)C(OC(C)C)C(C)C
InChIInChI=1S/C11H25NO/c1-6-10(7-12)11(8(2)3)13-9(4)5/h8-11H,6-7,12H2,1-5H3
InChIKeyVGXAZBCOFUQHKX-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.42
Rot. Bonds6

About 2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine

2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine (PubChem CID 58303750) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine
PubChem CID58303750
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine
SMILESCCC(CN)C(OC(C)C)C(C)C
InChIInChI=1S/C11H25NO/c1-6-10(7-12)11(8(2)3)13-9(4)5/h8-11H,6-7,12H2,1-5H3
InChIKeyVGXAZBCOFUQHKX-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine?
The IUPAC name of 2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine (CID 58303750) is 2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine.
What is the SMILES notation for 2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine?
The canonical SMILES for 2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine is CCC(CN)C(OC(C)C)C(C)C.
What is the InChIKey of 2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine?
The InChIKey is VGXAZBCOFUQHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-10(7-12)11(8(2)3)13-9(4)5/h8-11H,6-7,12H2,1-5H3.
What are the key properties of 2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine?
2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-3-propan-2-yloxypentan-1-amine is sourced from PubChem (CID 58303750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).