N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

C12H22N4 — CID 66133411

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCCn1cncc1CNCC1CCN(C)C1
InChIInChI=1S/C12H22N4/c1-3-16-10-14-8-12(16)7-13-6-11-4-5-15(2)9-11/h8,10-11,13H,3-7,9H2,1-2H3
InChIKeyRVTRIEZYYOZFDZ-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.94
Rot. Bonds5

About N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 66133411) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID66133411
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCCn1cncc1CNCC1CCN(C)C1
InChIInChI=1S/C12H22N4/c1-3-16-10-14-8-12(16)7-13-6-11-4-5-15(2)9-11/h8,10-11,13H,3-7,9H2,1-2H3
InChIKeyRVTRIEZYYOZFDZ-UHFFFAOYSA-N
XLogP0.94
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (CID 66133411) is N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is CCn1cncc1CNCC1CCN(C)C1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is RVTRIEZYYOZFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-16-10-14-8-12(16)7-13-6-11-4-5-15(2)9-11/h8,10-11,13H,3-7,9H2,1-2H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 222.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 66133411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).