1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine

C14H23N7 — CID 168603102

IUPAC1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine
SMILESCc1cc(N2CCN(C)CC2)ccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C14H23N7/c1-10-9-11(21-7-5-20(2)6-8-21)3-4-12(10)18-14(17)19-13(15)16/h3-4,9H,5-8H2,1-2H3,(H6,15,16,17,18,19)
InChIKeyMTHDPCONLHIZIH-UHFFFAOYSA-N
MW289.39 g/mol
LogP-0.03
Rot. Bonds2

About 1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine

1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine (PubChem CID 168603102) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine
PubChem CID168603102
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine
SMILESCc1cc(N2CCN(C)CC2)ccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C14H23N7/c1-10-9-11(21-7-5-20(2)6-8-21)3-4-12(10)18-14(17)19-13(15)16/h3-4,9H,5-8H2,1-2H3,(H6,15,16,17,18,19)
InChIKeyMTHDPCONLHIZIH-UHFFFAOYSA-N
XLogP-0.03
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine (CID 168603102) is 1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine is Cc1cc(N2CCN(C)CC2)ccc1/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine?
The InChIKey is MTHDPCONLHIZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-10-9-11(21-7-5-20(2)6-8-21)3-4-12(10)18-14(17)19-13(15)16/h3-4,9H,5-8H2,1-2H3,(H6,15,16,17,18,19).
What are the key properties of 1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine?
1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine has a molecular weight of 289.39 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine is sourced from PubChem (CID 168603102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).