[2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine

C11H21N5 — CID 115415878

IUPAC[2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine
SMILESCN1CCN(C)C(Cc2ncc(CN)[nH]2)C1
InChIInChI=1S/C11H21N5/c1-15-3-4-16(2)10(8-15)5-11-13-7-9(6-12)14-11/h7,10H,3-6,8,12H2,1-2H3,(H,13,14)
InChIKeyIBKKHAFRFMTILV-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.34
Rot. Bonds3

About [2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine

[2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine (PubChem CID 115415878) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine
PubChem CID115415878
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name[2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine
SMILESCN1CCN(C)C(Cc2ncc(CN)[nH]2)C1
InChIInChI=1S/C11H21N5/c1-15-3-4-16(2)10(8-15)5-11-13-7-9(6-12)14-11/h7,10H,3-6,8,12H2,1-2H3,(H,13,14)
InChIKeyIBKKHAFRFMTILV-UHFFFAOYSA-N
XLogP-0.34
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine
CID 115415877
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106478000
[2-(aminomethyl)-1H-imidazol-5-yl]methanamine
CID 54546826
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 113305593
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propyl-1H-pyrimidin-6-one
CID 137011840
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481707
1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
CID 116881215
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362262
[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol
CID 113305597
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one
CID 137011850
4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine
CID 115414497

Frequently Asked Questions

What is the IUPAC name of [2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine (CID 115415878) is [2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine is CN1CCN(C)C(Cc2ncc(CN)[nH]2)C1.
What is the InChIKey of [2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine?
The InChIKey is IBKKHAFRFMTILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-15-3-4-16(2)10(8-15)5-11-13-7-9(6-12)14-11/h7,10H,3-6,8,12H2,1-2H3,(H,13,14).
What are the key properties of [2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine?
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine has a molecular weight of 223.32 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 115415878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).