3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine

C12H28N2O — CID 156836008

IUPAC3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCOCCN(C)C(C)CCN(C)C(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)13(4)8-7-12(3)14(5)9-10-15-6/h11-12H,7-10H2,1-6H3
InChIKeyZVWXWHUQMCZOEO-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.68
Rot. Bonds8

About 3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine

3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 156836008) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID156836008
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCOCCN(C)C(C)CCN(C)C(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)13(4)8-7-12(3)14(5)9-10-15-6/h11-12H,7-10H2,1-6H3
InChIKeyZVWXWHUQMCZOEO-UHFFFAOYSA-N
XLogP1.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Isopropyl-(2-methoxy-ethyl)-methyl-amine
CID 239832
Diisopropyl-(2-methoxy-ethyl)-amine
CID 20079969
Ethyl-isopropyl-(2-methoxy-ethyl)-amine
CID 23559570
Isopropyl-(2-methoxy-ethyl)-propyl-amine
CID 23559583
(2-Methoxy-ethyl)-dipropyl-amine
CID 58715651
N-Ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
N-(2-(2-(dimethylamino)ethoxy)ethyl)-N-isopropylpropan-2-amine
CID 57872308
3-fluoro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 143070864
2-Diisopropylaminoethyl ethyl ether
CID 575118
N-propan-2-yl-N-(2-propoxyethyl)propan-2-amine
CID 85776061
4,8,12-Trimethyl-1-oxa-4,8,12-triazacyclotetradecane
CID 71341208
Butyl-ethyl-methyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium
CID 46751

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine (CID 156836008) is 3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine is COCCN(C)C(C)CCN(C)C(C)C.
What is the InChIKey of 3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is ZVWXWHUQMCZOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2)13(4)8-7-12(3)14(5)9-10-15-6/h11-12H,7-10H2,1-6H3.
What are the key properties of 3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 156836008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).