(2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine

C12H23N5 — CID 114283429

IUPAC(2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCc1ncc(C(N)C2CN(C)CCN2C)n1C
InChIInChI=1S/C12H23N5/c1-9-14-7-10(17(9)4)12(13)11-8-15(2)5-6-16(11)3/h7,11-12H,5-6,8,13H2,1-4H3
InChIKeyNIHDSBYWWOZSLC-UHFFFAOYSA-N
MW237.35 g/mol
LogP-0.03
Rot. Bonds2

About (2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine

(2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine (PubChem CID 114283429) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine
PubChem CID114283429
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name(2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCc1ncc(C(N)C2CN(C)CCN2C)n1C
InChIInChI=1S/C12H23N5/c1-9-14-7-10(17(9)4)12(13)11-8-15(2)5-6-16(11)3/h7,11-12H,5-6,8,13H2,1-4H3
InChIKeyNIHDSBYWWOZSLC-UHFFFAOYSA-N
XLogP-0.03
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79658672
(1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881778
(1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744552
(2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine
CID 130518971
(1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine
CID 79659584
(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 79658920
cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine
CID 106653847
(1,4-dimethylpiperazin-2-yl)-quinolin-6-ylmethanamine
CID 81231152
(1,4-dimethyl-1,4-diazepan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783611
1-(1,4-dimethylpiperazin-2-yl)-2-methylpropan-1-amine
CID 79659665
(1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114657737
1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine
CID 79658342

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine?
The IUPAC name of (2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine (CID 114283429) is (2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine is Cc1ncc(C(N)C2CN(C)CCN2C)n1C.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine?
The InChIKey is NIHDSBYWWOZSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-9-14-7-10(17(9)4)12(13)11-8-15(2)5-6-16(11)3/h7,11-12H,5-6,8,13H2,1-4H3.
What are the key properties of (2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine?
(2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine has a molecular weight of 237.35 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine is sourced from PubChem (CID 114283429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).