N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane

C16H38N2O — CID 155751068

IUPACN'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane
SMILESCC(C)C.CCCCOCCN(CC)CCN(C)C
InChIInChI=1S/C12H28N2O.C4H10/c1-5-7-11-15-12-10-14(6-2)9-8-13(3)4;1-4(2)3/h5-12H2,1-4H3;4H,1-3H3
InChIKeyMMQGJUCECFLARM-UHFFFAOYSA-N
MW274.49 g/mol
LogP3.35
Rot. Bonds10

About N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane

N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane (PubChem CID 155751068) has the molecular formula C16H38N2O and a molecular weight of 274.49 g/mol. Its IUPAC name is N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane.

Molecular Properties

Compound NameN'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane
PubChem CID155751068
Molecular FormulaC16H38N2O
Molecular Weight274.49 g/mol
Exact Mass274.30
IUPAC NameN'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane
SMILESCC(C)C.CCCCOCCN(CC)CCN(C)C
InChIInChI=1S/C12H28N2O.C4H10/c1-5-7-11-15-12-10-14(6-2)9-8-13(3)4;1-4(2)3/h5-12H2,1-4H3;4H,1-3H3
InChIKeyMMQGJUCECFLARM-UHFFFAOYSA-N
XLogP3.35
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-butoxyethyl)-N'-ethylethane-1,2-diamine
CID 61483279
N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
CID 145404707
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
N-[2-(2-chloroethoxy)ethyl]-N-ethylbutan-1-amine
CID 63666275
N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane
CID 155751635
dibutylstannane;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine
CID 174751010
3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
CID 106457825
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine
CID 63759164
N-(3-butoxypropyl)-N-butylbutan-1-amine
CID 152720768
N-(2-butoxyethyl)-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62554321
4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
CID 62459863

Frequently Asked Questions

What is the IUPAC name of N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane?
The IUPAC name of N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane (CID 155751068) is N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane.
What is the SMILES notation for N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane?
The canonical SMILES for N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane is CC(C)C.CCCCOCCN(CC)CCN(C)C.
What is the InChIKey of N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane?
The InChIKey is MMQGJUCECFLARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O.C4H10/c1-5-7-11-15-12-10-14(6-2)9-8-13(3)4;1-4(2)3/h5-12H2,1-4H3;4H,1-3H3.
What are the key properties of N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane?
N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane has a molecular weight of 274.49 g/mol, XLogP of 3.35, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butoxyethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropane is sourced from PubChem (CID 155751068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).