4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine

C12H23N5 — CID 55012097

IUPAC4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine
SMILESCc1nc(N2CCC(CN(C)C)CC2)c(N)[nH]1
InChIInChI=1S/C12H23N5/c1-9-14-11(13)12(15-9)17-6-4-10(5-7-17)8-16(2)3/h10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyQCUMMLPGCQKUSV-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.08
Rot. Bonds3

About 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine

4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine (PubChem CID 55012097) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine
PubChem CID55012097
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine
SMILESCc1nc(N2CCC(CN(C)C)CC2)c(N)[nH]1
InChIInChI=1S/C12H23N5/c1-9-14-11(13)12(15-9)17-6-4-10(5-7-17)8-16(2)3/h10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyQCUMMLPGCQKUSV-UHFFFAOYSA-N
XLogP1.08
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine?
The IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine (CID 55012097) is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine is Cc1nc(N2CCC(CN(C)C)CC2)c(N)[nH]1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine?
The InChIKey is QCUMMLPGCQKUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-9-14-11(13)12(15-9)17-6-4-10(5-7-17)8-16(2)3/h10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine?
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine has a molecular weight of 237.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine is sourced from PubChem (CID 55012097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).