3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine

C11H27N3 — CID 63223604

IUPAC3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine
SMILESCCN(CC)CCN(C)C(C)CCN
InChIInChI=1S/C11H27N3/c1-5-14(6-2)10-9-13(4)11(3)7-8-12/h11H,5-10,12H2,1-4H3
InChIKeyGPTYNMQXDCIEIR-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.00
Rot. Bonds8

About 3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine

3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine (PubChem CID 63223604) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is 3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine
PubChem CID63223604
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Name3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine
SMILESCCN(CC)CCN(C)C(C)CCN
InChIInChI=1S/C11H27N3/c1-5-14(6-2)10-9-13(4)11(3)7-8-12/h11H,5-10,12H2,1-4H3
InChIKeyGPTYNMQXDCIEIR-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol
CID 79361238
N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine
CID 2846550
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine
CID 117040502
N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 43571779
3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine
CID 63223427
3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine
CID 117040503
3-[2-(diethylamino)ethyl-methylamino]butanimidamide
CID 107912511
N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
CID 55089810
3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane
CID 156728034
4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
CID 62462204
2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide
CID 61453369

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine (CID 63223604) is 3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine is CCN(CC)CCN(C)C(C)CCN.
What is the InChIKey of 3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine?
The InChIKey is GPTYNMQXDCIEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-5-14(6-2)10-9-13(4)11(3)7-8-12/h11H,5-10,12H2,1-4H3.
What are the key properties of 3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine?
3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine has a molecular weight of 201.36 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 63223604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).