1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine

C10H25N3O — CID 91542846

IUPAC1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine
SMILESCC(N)CCNCCOCCN(C)C
InChIInChI=1S/C10H25N3O/c1-10(11)4-5-12-6-8-14-9-7-13(2)3/h10,12H,4-9,11H2,1-3H3
InChIKeyZTBSPOCRRYLHBM-UHFFFAOYSA-N
MW203.33 g/mol
LogP-0.11
Rot. Bonds9

About 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine

1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine (PubChem CID 91542846) has the molecular formula C10H25N3O and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine
PubChem CID91542846
Molecular FormulaC10H25N3O
Molecular Weight203.33 g/mol
Exact Mass203.20
IUPAC Name1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine
SMILESCC(N)CCNCCOCCN(C)C
InChIInChI=1S/C10H25N3O/c1-10(11)4-5-12-6-8-14-9-7-13(2)3/h10,12H,4-9,11H2,1-3H3
InChIKeyZTBSPOCRRYLHBM-UHFFFAOYSA-N
XLogP-0.11
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 5-0.11
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-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 62341832
1-[2-(dimethylamino)ethoxy]propan-2-amine
CID 164578140
(2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine
CID 11806174
(3S)-1-N-(3-methylbutyl)butane-1,3-diamine
CID 86664875
N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
CID 103285767
N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methylpropan-2-amine
CID 170129105
N-(cyclopentylmethyl)-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103952800
N,N-dimethyl-3-[2-(propylamino)ethoxy]propan-1-amine
CID 55210850
1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
CID 173333881
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine
CID 90874873
N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine
CID 62584513

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine?
The IUPAC name of 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine (CID 91542846) is 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine.
What is the SMILES notation for 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine?
The canonical SMILES for 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine is CC(N)CCNCCOCCN(C)C.
What is the InChIKey of 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine?
The InChIKey is ZTBSPOCRRYLHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O/c1-10(11)4-5-12-6-8-14-9-7-13(2)3/h10,12H,4-9,11H2,1-3H3.
What are the key properties of 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine?
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine has a molecular weight of 203.33 g/mol, XLogP of -0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine is sourced from PubChem (CID 91542846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).