1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine

C12H22N4 — CID 106563035

IUPAC1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1CC1CCN(C)C1
InChIInChI=1S/C12H22N4/c1-10(2)14-12-13-5-7-16(12)9-11-4-6-15(3)8-11/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,13,14)
InChIKeyRQWSLFCHOQHVCW-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.66
Rot. Bonds4

About 1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine

1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine (PubChem CID 106563035) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine
PubChem CID106563035
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1CC1CCN(C)C1
InChIInChI=1S/C12H22N4/c1-10(2)14-12-13-5-7-16(12)9-11-4-6-15(3)8-11/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,13,14)
InChIKeyRQWSLFCHOQHVCW-UHFFFAOYSA-N
XLogP1.66
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106567048
1-[2-(1-methylpiperidin-4-yl)ethyl]-N-propan-2-ylimidazol-2-amine
CID 106581922
1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine
CID 106563055
2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole
CID 155911076
N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576786
1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine
CID 106581680
1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106580102
1-(cyclobutylmethyl)-N-ethylimidazol-2-amine
CID 106561466
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
1-(2-piperidin-1-ylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106567940
N-benzyl-5-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-2-yl]pyrimidin-2-amine
CID 95555823
N-benzyl-5-[1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]imidazol-2-yl]pyrimidin-2-amine
CID 95555822

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine (CID 106563035) is 1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine is CC(C)Nc1nccn1CC1CCN(C)C1.
What is the InChIKey of 1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The InChIKey is RQWSLFCHOQHVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)14-12-13-5-7-16(12)9-11-4-6-15(3)8-11/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,13,14).
What are the key properties of 1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine?
1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine has a molecular weight of 222.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106563035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).