2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine

C12H25NO — CID 65165207

IUPAC2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCC(C)(CCC1CCCO1)CNC
InChIInChI=1S/C12H25NO/c1-4-12(2,10-13-3)8-7-11-6-5-9-14-11/h11,13H,4-10H2,1-3H3
InChIKeyKJHLNUCGPXHUKH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About 2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine

2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 65165207) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID65165207
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCC(C)(CCC1CCCO1)CNC
InChIInChI=1S/C12H25NO/c1-4-12(2,10-13-3)8-7-11-6-5-9-14-11/h11,13H,4-10H2,1-3H3
InChIKeyKJHLNUCGPXHUKH-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine (CID 65165207) is 2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine is CCC(C)(CCC1CCCO1)CNC.
What is the InChIKey of 2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is KJHLNUCGPXHUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-12(2,10-13-3)8-7-11-6-5-9-14-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine?
2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 65165207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).