2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine

C12H26N2O — CID 61431281

IUPAC2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
SMILESCCC(CC)(CN)N(C)CC1CCCO1
InChIInChI=1S/C12H26N2O/c1-4-12(5-2,10-13)14(3)9-11-7-6-8-15-11/h11H,4-10,13H2,1-3H3
InChIKeyNSCWHMMWCOXSBC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds6

About 2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine

2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine (PubChem CID 61431281) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
PubChem CID61431281
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
SMILESCCC(CC)(CN)N(C)CC1CCCO1
InChIInChI=1S/C12H26N2O/c1-4-12(5-2,10-13)14(3)9-11-7-6-8-15-11/h11H,4-10,13H2,1-3H3
InChIKeyNSCWHMMWCOXSBC-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine (CID 61431281) is 2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine is CCC(CC)(CN)N(C)CC1CCCO1.
What is the InChIKey of 2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The InChIKey is NSCWHMMWCOXSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-12(5-2,10-13)14(3)9-11-7-6-8-15-11/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 61431281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).