3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine

C14H28N4O — CID 106567739

IUPAC3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCOCCCn1ccnc1NC(C)CCN(C)C
InChIInChI=1S/C14H28N4O/c1-5-19-12-6-9-18-11-8-15-14(18)16-13(2)7-10-17(3)4/h8,11,13H,5-7,9-10,12H2,1-4H3,(H,15,16)
InChIKeyBXHKZTIEQDWXCC-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.06
Rot. Bonds10

About 3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine

3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 106567739) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID106567739
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCOCCCn1ccnc1NC(C)CCN(C)C
InChIInChI=1S/C14H28N4O/c1-5-19-12-6-9-18-11-8-15-14(18)16-13(2)7-10-17(3)4/h8,11,13H,5-7,9-10,12H2,1-4H3,(H,15,16)
InChIKeyBXHKZTIEQDWXCC-UHFFFAOYSA-N
XLogP2.06
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-N-octan-2-ylimidazol-2-amine
CID 106564944
3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 62139161
1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572232
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
N-(1-ethoxypropan-2-yl)-1-propylimidazol-2-amine
CID 106565346
1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
CID 106554767
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558812
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
CID 106568327
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
CID 65181164

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine (CID 106567739) is 3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine is CCOCCCn1ccnc1NC(C)CCN(C)C.
What is the InChIKey of 3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is BXHKZTIEQDWXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-19-12-6-9-18-11-8-15-14(18)16-13(2)7-10-17(3)4/h8,11,13H,5-7,9-10,12H2,1-4H3,(H,15,16).
What are the key properties of 3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(3-ethoxypropyl)imidazol-2-yl]-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 106567739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).