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

C11H24N2O — CID 82753901

IUPAC1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine
SMILESCNCCC(C)N(C)C1CCOC1C
InChIInChI=1S/C11H24N2O/c1-9(5-7-12-3)13(4)11-6-8-14-10(11)2/h9-12H,5-8H2,1-4H3
InChIKeyVIONZIORQXIOPZ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.09
Rot. Bonds5

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

1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine (PubChem CID 82753901) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine
PubChem CID82753901
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine
SMILESCNCCC(C)N(C)C1CCOC1C
InChIInChI=1S/C11H24N2O/c1-9(5-7-12-3)13(4)11-6-8-14-10(11)2/h9-12H,5-8H2,1-4H3
InChIKeyVIONZIORQXIOPZ-UHFFFAOYSA-N
XLogP1.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-(2-methyloxolan-3-yl)pentane-2,3-diamine
CID 82734283
2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82754425
1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
CID 82735550
2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile
CID 82738997
1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine
CID 82735203
ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate
CID 83049005
4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
CID 82748524
N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine
CID 82754523
1-[methyl-(2-methyloxolan-3-yl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 82734140
3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 62433399
N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82734580
3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82734199

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine (CID 82753901) is 1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine is CNCCC(C)N(C)C1CCOC1C.
What is the InChIKey of 1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine?
The InChIKey is VIONZIORQXIOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(5-7-12-3)13(4)11-6-8-14-10(11)2/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine?
1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine is sourced from PubChem (CID 82753901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).