2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine

C13H30N2O — CID 81056584

IUPAC2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
SMILESCCCC(CN(C)CCOC(C)C)NCC
InChIInChI=1S/C13H30N2O/c1-6-8-13(14-7-2)11-15(5)9-10-16-12(3)4/h12-14H,6-11H2,1-5H3
InChIKeyRQSBOKAGDSETHY-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds10

About 2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine

2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine (PubChem CID 81056584) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
PubChem CID81056584
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
SMILESCCCC(CN(C)CCOC(C)C)NCC
InChIInChI=1S/C13H30N2O/c1-6-8-13(14-7-2)11-15(5)9-10-16-12(3)4/h12-14H,6-11H2,1-5H3
InChIKeyRQSBOKAGDSETHY-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butan-1-ol
CID 81063410
3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propan-1-ol
CID 81063408
2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81055398
N-ethyl-1-(2-propan-2-yloxyethoxy)pentan-2-amine
CID 62042339
(2S)-1-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 103935283
1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
CID 81055682
2-N-ethyl-1-N,1-N-bis(2-methoxyethyl)pentane-1,2-diamine
CID 62043594
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
CID 81062128
2,2-dimethoxy-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81057838
1-ethoxy-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 80710339
2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81062944
2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 115665678

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine (CID 81056584) is 2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine is CCCC(CN(C)CCOC(C)C)NCC.
What is the InChIKey of 2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
The InChIKey is RQSBOKAGDSETHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-8-13(14-7-2)11-15(5)9-10-16-12(3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of 2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine is sourced from PubChem (CID 81056584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).