1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine

C10H20N4O — CID 106244489

IUPAC1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine
SMILESCCn1ccnc1NCCC(N)COC
InChIInChI=1S/C10H20N4O/c1-3-14-7-6-13-10(14)12-5-4-9(11)8-15-2/h6-7,9H,3-5,8,11H2,1-2H3,(H,12,13)
InChIKeyIGBOBAXEPULZKL-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.68
Rot. Bonds7

About 1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine

1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine (PubChem CID 106244489) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine
PubChem CID106244489
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine
SMILESCCn1ccnc1NCCC(N)COC
InChIInChI=1S/C10H20N4O/c1-3-14-7-6-13-10(14)12-5-4-9(11)8-15-2/h6-7,9H,3-5,8,11H2,1-2H3,(H,12,13)
InChIKeyIGBOBAXEPULZKL-UHFFFAOYSA-N
XLogP0.68
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine
CID 80507516
2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine
CID 106182281
2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol
CID 106186173
1-ethyl-N-octylimidazol-2-amine
CID 115568972
4-[(1-ethylimidazol-2-yl)amino]butan-1-ol
CID 106842674
N-(1-ethylimidazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 62138038
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide
CID 62137676
1-N-(3-bromo-4-methyl-2-pyridinyl)-4-methoxybutane-1,3-diamine
CID 106244122
2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
CID 62478814
N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine
CID 55256491
1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106583274

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine?
The IUPAC name of 1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine (CID 106244489) is 1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine.
What is the SMILES notation for 1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine?
The canonical SMILES for 1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine is CCn1ccnc1NCCC(N)COC.
What is the InChIKey of 1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine?
The InChIKey is IGBOBAXEPULZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-14-7-6-13-10(14)12-5-4-9(11)8-15-2/h6-7,9H,3-5,8,11H2,1-2H3,(H,12,13).
What are the key properties of 1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine?
1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine has a molecular weight of 212.30 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine is sourced from PubChem (CID 106244489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).