1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine

C15H28N4O — CID 106559623

IUPAC1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine
SMILESCCOCCCn1ccnc1NCC1CCCN1CC
InChIInChI=1S/C15H28N4O/c1-3-18-9-5-7-14(18)13-17-15-16-8-11-19(15)10-6-12-20-4-2/h8,11,14H,3-7,9-10,12-13H2,1-2H3,(H,16,17)
InChIKeyMWMCQHZOZMOKFY-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.21
Rot. Bonds9

About 1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine

1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine (PubChem CID 106559623) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine
PubChem CID106559623
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine
SMILESCCOCCCn1ccnc1NCC1CCCN1CC
InChIInChI=1S/C15H28N4O/c1-3-18-9-5-7-14(18)13-17-15-16-8-11-19(15)10-6-12-20-4-2/h8,11,14H,3-7,9-10,12-13H2,1-2H3,(H,16,17)
InChIKeyMWMCQHZOZMOKFY-UHFFFAOYSA-N
XLogP2.21
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.21
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-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576791
1-(3-ethoxypropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565048
1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine
CID 106566033
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
CID 106554767
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
CID 106574105
1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572232
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580528
N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine
CID 106561310
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine (CID 106559623) is 1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine is CCOCCCn1ccnc1NCC1CCCN1CC.
What is the InChIKey of 1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine?
The InChIKey is MWMCQHZOZMOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-18-9-5-7-14(18)13-17-15-16-8-11-19(15)10-6-12-20-4-2/h8,11,14H,3-7,9-10,12-13H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine?
1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106559623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).