N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine

C13H28N2O — CID 104745169

IUPACN,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)CCC(C)C)C1CCOC1
InChIInChI=1S/C13H28N2O/c1-11(2)5-7-15(4)9-13(14-3)12-6-8-16-10-12/h11-14H,5-10H2,1-4H3
InChIKeyMBGAVWZXHPOGLF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.59
Rot. Bonds7

About N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine

N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104745169) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104745169
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(C)CCC(C)C)C1CCOC1
InChIInChI=1S/C13H28N2O/c1-11(2)5-7-15(4)9-13(14-3)12-6-8-16-10-12/h11-14H,5-10H2,1-4H3
InChIKeyMBGAVWZXHPOGLF-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-1-(oxolan-3-yl)-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 104744988
N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746790
N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745390
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 105414310
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745513
N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746803
N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 102992372
N'-[(2-fluorophenyl)methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745092
2-(2,2-dimethylhydrazinyl)-2-(oxolan-3-yl)ethanamine
CID 83010989
N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745948
N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745249
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104745169) is N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine is CNC(CN(C)CCC(C)C)C1CCOC1.
What is the InChIKey of N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is MBGAVWZXHPOGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)5-7-15(4)9-13(14-3)12-6-8-16-10-12/h11-14H,5-10H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104745169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).