1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine

C14H26N4O — CID 106563052

IUPAC1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
SMILESCOCCCn1cc(C)nc1NCC1CCN(C)C1
InChIInChI=1S/C14H26N4O/c1-12-10-18(6-4-8-19-3)14(16-12)15-9-13-5-7-17(2)11-13/h10,13H,4-9,11H2,1-3H3,(H,15,16)
InChIKeyBBTYURDKIYVBPE-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.59
Rot. Bonds7

About 1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine

1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine (PubChem CID 106563052) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
PubChem CID106563052
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
SMILESCOCCCn1cc(C)nc1NCC1CCN(C)C1
InChIInChI=1S/C14H26N4O/c1-12-10-18(6-4-8-19-3)14(16-12)15-9-13-5-7-17(2)11-13/h10,13H,4-9,11H2,1-3H3,(H,15,16)
InChIKeyBBTYURDKIYVBPE-UHFFFAOYSA-N
XLogP1.59
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.59
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

N-(3-methoxypropyl)-4-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563068
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106574101
N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106563359
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106567076
1-(3-ethoxypropyl)-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]imidazol-2-amine
CID 106576043
1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine
CID 106582144
1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106561174
1-(3-methoxypropyl)-4-methyl-N-(2-morpholin-4-ylethyl)imidazol-2-amine
CID 106559331
1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565251
1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106575804
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine (CID 106563052) is 1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine is COCCCn1cc(C)nc1NCC1CCN(C)C1.
What is the InChIKey of 1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine?
The InChIKey is BBTYURDKIYVBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12-10-18(6-4-8-19-3)14(16-12)15-9-13-5-7-17(2)11-13/h10,13H,4-9,11H2,1-3H3,(H,15,16).
What are the key properties of 1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine?
1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106563052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).