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

C14H26N4 — CID 114204050

IUPAC2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCN1CCC(Cn2cnc(CNC(C)(C)C)c2)C1
InChIInChI=1S/C14H26N4/c1-14(2,3)16-7-13-10-18(11-15-13)9-12-5-6-17(4)8-12/h10-12,16H,5-9H2,1-4H3
InChIKeyDHGGHSMGPJTGAV-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.72
Rot. Bonds4

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

2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 114204050) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID114204050
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCN1CCC(Cn2cnc(CNC(C)(C)C)c2)C1
InChIInChI=1S/C14H26N4/c1-14(2,3)16-7-13-10-18(11-15-13)9-12-5-6-17(4)8-12/h10-12,16H,5-9H2,1-4H3
InChIKeyDHGGHSMGPJTGAV-UHFFFAOYSA-N
XLogP1.72
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 114204050) is 2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is CN1CCC(Cn2cnc(CNC(C)(C)C)c2)C1.
What is the InChIKey of 2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is DHGGHSMGPJTGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2,3)16-7-13-10-18(11-15-13)9-12-5-6-17(4)8-12/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114204050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).