2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine

C10H22N2O — CID 115688949

IUPAC2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine
SMILESCCC(CNC1CCOC1)N(C)C
InChIInChI=1S/C10H22N2O/c1-4-10(12(2)3)7-11-9-5-6-13-8-9/h9-11H,4-8H2,1-3H3
InChIKeyDFOHRDSTKYQCES-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds5

About 2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine

2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine (PubChem CID 115688949) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine
PubChem CID115688949
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine
SMILESCCC(CNC1CCOC1)N(C)C
InChIInChI=1S/C10H22N2O/c1-4-10(12(2)3)7-11-9-5-6-13-8-9/h9-11H,4-8H2,1-3H3
InChIKeyDFOHRDSTKYQCES-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(oxolan-3-ylamino)butan-2-ol
CID 130571979
2-N-cyclopropyl-2-N-methyl-1-N-(oxolan-3-yl)propane-1,2-diamine
CID 115689098
N-(2-methylnonyl)oxolan-3-amine
CID 115688902
N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63335601
2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine
CID 115708721
3-ethyl-2-N,2-N-dimethyl-1-N-(oxepan-4-yl)pentane-1,2-diamine
CID 65076947
N-(2-methylbutyl)oxan-4-amine
CID 43609665
1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82754795
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
N-(2,2-diethylbutyl)oxolan-3-amine
CID 115694918
N-(2,2-diphenylethyl)oxolan-3-amine
CID 103748167
N-(2-methylpentan-3-yl)oxolan-3-amine
CID 63335155

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine (CID 115688949) is 2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine is CCC(CNC1CCOC1)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine?
The InChIKey is DFOHRDSTKYQCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-10(12(2)3)7-11-9-5-6-13-8-9/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(oxolan-3-yl)butane-1,2-diamine is sourced from PubChem (CID 115688949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).