2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine

C12H26N2O — CID 65158469

IUPAC2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine
SMILESCCC(C)(CN)N(C)CCC1CCCO1
InChIInChI=1S/C12H26N2O/c1-4-12(2,10-13)14(3)8-7-11-6-5-9-15-11/h11H,4-10,13H2,1-3H3
InChIKeyIIJUVKCKJBVVJQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds6

About 2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine

2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine (PubChem CID 65158469) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine
PubChem CID65158469
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine
SMILESCCC(C)(CN)N(C)CCC1CCCO1
InChIInChI=1S/C12H26N2O/c1-4-12(2,10-13)14(3)8-7-11-6-5-9-15-11/h11H,4-10,13H2,1-3H3
InChIKeyIIJUVKCKJBVVJQ-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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Related Compounds

1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine
CID 120857063
N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 79652271
2-ethyl-2-(oxolan-2-ylmethyl)butan-1-amine
CID 62724509
3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
CID 106811255
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
1-(aminomethyl)-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65158615
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide
CID 113270028
2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine;hydrochloride
CID 122240151
1-(aminomethyl)-N-ethyl-N-[2-(oxolan-2-yl)ethyl]cyclopentan-1-amine
CID 65158368

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine (CID 65158469) is 2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine is CCC(C)(CN)N(C)CCC1CCCO1.
What is the InChIKey of 2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine?
The InChIKey is IIJUVKCKJBVVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-12(2,10-13)14(3)8-7-11-6-5-9-15-11/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine?
2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]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-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine is sourced from PubChem (CID 65158469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).