3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine

C13H28N2O2 — CID 55004363

IUPAC3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine
SMILESCCC(CC)N(CCOC)C1COCCC1N
InChIInChI=1S/C13H28N2O2/c1-4-11(5-2)15(7-9-16-3)13-10-17-8-6-12(13)14/h11-13H,4-10,14H2,1-3H3
InChIKeyIGJLLRRLISCDTI-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.24
Rot. Bonds7

About 3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine

3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine (PubChem CID 55004363) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine
PubChem CID55004363
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine
SMILESCCC(CC)N(CCOC)C1COCCC1N
InChIInChI=1S/C13H28N2O2/c1-4-11(5-2)15(7-9-16-3)13-10-17-8-6-12(13)14/h11-13H,4-10,14H2,1-3H3
InChIKeyIGJLLRRLISCDTI-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-methoxyethyl)-2-N-pentan-3-ylcyclooctane-1,2-diamine
CID 55004362
3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
CID 62691686
3-N-ethyl-3-N-methyloxane-3,4-diamine
CID 43608817
3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine
CID 61436867
3-N-cyclopropyl-3-N-propyloxane-3,4-diamine
CID 43608825
3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
CID 107869710
3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine
CID 79477724
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine
CID 80999579
3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine
CID 63694328
3-N-butyl-3-N-ethyloxane-3,4-diamine
CID 43608807
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine
CID 79859981
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63493385

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine (CID 55004363) is 3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine is CCC(CC)N(CCOC)C1COCCC1N.
What is the InChIKey of 3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine?
The InChIKey is IGJLLRRLISCDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-11(5-2)15(7-9-16-3)13-10-17-8-6-12(13)14/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine?
3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine is sourced from PubChem (CID 55004363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).