1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine

C23H60N12 — CID 159501293

IUPAC1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine
SMILESCN1CCN(C)CC1.CN1CCNCC1.CNC1CCC(N)CC1.CNCN.CNCN=C(N)N
InChIInChI=1S/C7H16N2.C6H14N2.C5H12N2.C3H10N4.C2H8N2/c1-9-7-4-2-6(8)3-5-7;1-7-3-5-8(2)6-4-7;1-7-4-2-6-3-5-7;1-6-2-7-3(4)5;1-4-2-3/h6-7,9H,2-5,8H2,1H3;3-6H2,1-2H3;6H,2-5H2,1H3;6H,2H2,1H3,(H4,4,5,7);4H,2-3H2,1H3
InChIKeyLZKKUIFEVOFUSA-UHFFFAOYSA-N
MW504.82 g/mol
LogP-2.58
Rot. Bonds4

About 1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine

1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine (PubChem CID 159501293) has the molecular formula C23H60N12 and a molecular weight of 504.82 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine
PubChem CID159501293
Molecular FormulaC23H60N12
Molecular Weight504.82 g/mol
Exact Mass504.51
IUPAC Name1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine
SMILESCN1CCN(C)CC1.CN1CCNCC1.CNC1CCC(N)CC1.CNCN.CNCN=C(N)N
InChIInChI=1S/C7H16N2.C6H14N2.C5H12N2.C3H10N4.C2H8N2/c1-9-7-4-2-6(8)3-5-7;1-7-3-5-8(2)6-4-7;1-7-4-2-6-3-5-7;1-6-2-7-3(4)5;1-4-2-3/h6-7,9H,2-5,8H2,1H3;3-6H2,1-2H3;6H,2-5H2,1H3;6H,2H2,1H3,(H4,4,5,7);4H,2-3H2,1H3
InChIKeyLZKKUIFEVOFUSA-UHFFFAOYSA-N
XLogP-2.58
TPSA174.28 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.82
LogP ≤ 5-2.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine?
The IUPAC name of 1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine (CID 159501293) is 1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine.
What is the SMILES notation for 1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine?
The canonical SMILES for 1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine is CN1CCN(C)CC1.CN1CCNCC1.CNC1CCC(N)CC1.CNCN.CNCN=C(N)N.
What is the InChIKey of 1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine?
The InChIKey is LZKKUIFEVOFUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C6H14N2.C5H12N2.C3H10N4.C2H8N2/c1-9-7-4-2-6(8)3-5-7;1-7-3-5-8(2)6-4-7;1-7-4-2-6-3-5-7;1-6-2-7-3(4)5;1-4-2-3/h6-7,9H,2-5,8H2,1H3;3-6H2,1-2H3;6H,2-5H2,1H3;6H,2H2,1H3,(H4,4,5,7);4H,2-3H2,1H3.
What are the key properties of 1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine?
1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine has a molecular weight of 504.82 g/mol, XLogP of -2.58, 4 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;2-(methylaminomethyl)guanidine;4-N-methylcyclohexane-1,4-diamine;N'-methylmethanediamine;1-methylpiperazine is sourced from PubChem (CID 159501293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).