2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine

C13H27NO — CID 65165653

IUPAC2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCC(CC)(CCC1CCCO1)CNC
InChIInChI=1S/C13H27NO/c1-4-13(5-2,11-14-3)9-8-12-7-6-10-15-12/h12,14H,4-11H2,1-3H3
InChIKeySXKNDGURHKGOAJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About 2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine

2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 65165653) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID65165653
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCC(CC)(CCC1CCCO1)CNC
InChIInChI=1S/C13H27NO/c1-4-13(5-2,11-14-3)9-8-12-7-6-10-15-12/h12,14H,4-11H2,1-3H3
InChIKeySXKNDGURHKGOAJ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine (CID 65165653) is 2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine is CCC(CC)(CCC1CCCO1)CNC.
What is the InChIKey of 2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is SXKNDGURHKGOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-13(5-2,11-14-3)9-8-12-7-6-10-15-12/h12,14H,4-11H2,1-3H3.
What are the key properties of 2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine?
2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 65165653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).