(1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine

C13H25N5 — CID 104943232

IUPAC(1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CC1CN(C)CCN1C
InChIInChI=1S/C13H25N5/c1-4-12(14)13-7-15-10-18(13)9-11-8-16(2)5-6-17(11)3/h7,10-12H,4-6,8-9,14H2,1-3H3/t11?,12-/m1/s1
InChIKeyDCJVBHLKFSVYLL-PIJUOVFKSA-N
MW251.38 g/mol
LogP0.54
Rot. Bonds4

About (1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine

(1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine (PubChem CID 104943232) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is (1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine
PubChem CID104943232
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name(1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CC1CN(C)CCN1C
InChIInChI=1S/C13H25N5/c1-4-12(14)13-7-15-10-18(13)9-11-8-16(2)5-6-17(11)3/h7,10-12H,4-6,8-9,14H2,1-3H3/t11?,12-/m1/s1
InChIKeyDCJVBHLKFSVYLL-PIJUOVFKSA-N
XLogP0.54
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149947
2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708327
(1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine
CID 114098190
(1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine
CID 104942372
1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine
CID 114720756
(1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine
CID 104942116
(1R)-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]propan-1-amine
CID 104943152
(1R)-1-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]propan-1-amine
CID 104942643
(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine
CID 102909113
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one
CID 104943658
2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol
CID 114703672
(1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine
CID 104943185

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine (CID 104943232) is (1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1CC1CN(C)CCN1C.
What is the InChIKey of (1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine?
The InChIKey is DCJVBHLKFSVYLL-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-12(14)13-7-15-10-18(13)9-11-8-16(2)5-6-17(11)3/h7,10-12H,4-6,8-9,14H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of (1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine?
(1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104943232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).