2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine

C14H26N4 — CID 62593018

IUPAC2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(c2nccn2C)CC1
InChIInChI=1S/C14H26N4/c1-12(2)10-15-11-13-4-7-18(8-5-13)14-16-6-9-17(14)3/h6,9,12-13,15H,4-5,7-8,10-11H2,1-3H3
InChIKeyFROJUDAKZCBTAA-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.88
Rot. Bonds5

About 2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 62593018) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID62593018
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(c2nccn2C)CC1
InChIInChI=1S/C14H26N4/c1-12(2)10-15-11-13-4-7-18(8-5-13)14-16-6-9-17(14)3/h6,9,12-13,15H,4-5,7-8,10-11H2,1-3H3
InChIKeyFROJUDAKZCBTAA-UHFFFAOYSA-N
XLogP1.88
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.88
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-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine (CID 62593018) is 2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine is CC(C)CNCC1CCN(c2nccn2C)CC1.
What is the InChIKey of 2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is FROJUDAKZCBTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)10-15-11-13-4-7-18(8-5-13)14-16-6-9-17(14)3/h6,9,12-13,15H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.88, 5 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-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62593018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).