N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine

C12H26N2O — CID 104744855

IUPACN'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCC(C)C(C)N(C)CC(N)C1CCOC1
InChIInChI=1S/C12H26N2O/c1-9(2)10(3)14(4)7-12(13)11-5-6-15-8-11/h9-12H,5-8,13H2,1-4H3
InChIKeyXVCIQKWOFYJSCG-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.33
Rot. Bonds5

About N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine

N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104744855) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104744855
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCC(C)C(C)N(C)CC(N)C1CCOC1
InChIInChI=1S/C12H26N2O/c1-9(2)10(3)14(4)7-12(13)11-5-6-15-8-11/h9-12H,5-8,13H2,1-4H3
InChIKeyXVCIQKWOFYJSCG-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-methoxypropan-2-yl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745360
N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 107869656
N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine
CID 104744694
2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
CID 104748684
N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine
CID 104744324
2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 107763469
N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745597
2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
CID 104748945
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
1-(oxolan-3-yl)butan-1-amine
CID 63564938
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61377686

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104744855) is N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine is CC(C)C(C)N(C)CC(N)C1CCOC1.
What is the InChIKey of N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is XVCIQKWOFYJSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)10(3)14(4)7-12(13)11-5-6-15-8-11/h9-12H,5-8,13H2,1-4H3.
What are the key properties of N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine?
N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104744855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).