N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine

C12H25NO — CID 107138091

IUPACN-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine
SMILESCCNCC(C)C(C)C1CCCOC1
InChIInChI=1S/C12H25NO/c1-4-13-8-10(2)11(3)12-6-5-7-14-9-12/h10-13H,4-9H2,1-3H3
InChIKeyUHURLOXKANYFAX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.29
Rot. Bonds5

About N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine

N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine (PubChem CID 107138091) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine
PubChem CID107138091
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine
SMILESCCNCC(C)C(C)C1CCCOC1
InChIInChI=1S/C12H25NO/c1-4-13-8-10(2)11(3)12-6-5-7-14-9-12/h10-13H,4-9H2,1-3H3
InChIKeyUHURLOXKANYFAX-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine (CID 107138091) is N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine is CCNCC(C)C(C)C1CCCOC1.
What is the InChIKey of N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine?
The InChIKey is UHURLOXKANYFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-13-8-10(2)11(3)12-6-5-7-14-9-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine?
N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine is sourced from PubChem (CID 107138091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).