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

C10H24N2O2 — CID 106345341

IUPAC2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine
SMILESCOCCOCCNC(CN)C(C)C
InChIInChI=1S/C10H24N2O2/c1-9(2)10(8-11)12-4-5-14-7-6-13-3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyDBKCDVUOILMFPO-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.22
Rot. Bonds9

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

2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine (PubChem CID 106345341) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine
PubChem CID106345341
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine
SMILESCOCCOCCNC(CN)C(C)C
InChIInChI=1S/C10H24N2O2/c1-9(2)10(8-11)12-4-5-14-7-6-13-3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyDBKCDVUOILMFPO-UHFFFAOYSA-N
XLogP0.22
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 102978065
1-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropan-1-amine
CID 115712459
2-methyl-N-(2-propoxyethyl)pentan-3-amine
CID 106451788
5-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]pentane-1,4-diamine
CID 103389661
ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate
CID 103254023
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 104561963
(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
CID 102416894
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855
3-(2-methoxyethylamino)-4-methylpentan-1-ol
CID 104696168
1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine
CID 104562116
N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
CID 80694202
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine (CID 106345341) is 2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine is COCCOCCNC(CN)C(C)C.
What is the InChIKey of 2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine?
The InChIKey is DBKCDVUOILMFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-9(2)10(8-11)12-4-5-14-7-6-13-3/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine?
2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine has a molecular weight of 204.31 g/mol, XLogP of 0.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine is sourced from PubChem (CID 106345341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).