1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine

C10H24N6 — CID 176525528

IUPAC1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine
SMILES[H]/N=C(\N)NCC(CN=C(N)N)C(C)CCC
InChIInChI=1S/C10H24N6/c1-3-4-7(2)8(5-15-9(11)12)6-16-10(13)14/h7-8H,3-6H2,1-2H3,(H4,11,12,15)(H4,13,14,16)
InChIKeyNTIHZYOQMUNUEZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.20
Rot. Bonds7

About 1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine

1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine (PubChem CID 176525528) has the molecular formula C10H24N6 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine.

Molecular Properties

Compound Name1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine
PubChem CID176525528
Molecular FormulaC10H24N6
Molecular Weight228.34 g/mol
Exact Mass228.21
IUPAC Name1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine
SMILES[H]/N=C(\N)NCC(CN=C(N)N)C(C)CCC
InChIInChI=1S/C10H24N6/c1-3-4-7(2)8(5-15-9(11)12)6-16-10(13)14/h7-8H,3-6H2,1-2H3,(H4,11,12,15)(H4,13,14,16)
InChIKeyNTIHZYOQMUNUEZ-UHFFFAOYSA-N
XLogP-0.20
TPSA126.30 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine?
The IUPAC name of 1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine (CID 176525528) is 1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine.
What is the SMILES notation for 1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine?
The canonical SMILES for 1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine is [H]/N=C(\N)NCC(CN=C(N)N)C(C)CCC.
What is the InChIKey of 1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine?
The InChIKey is NTIHZYOQMUNUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N6/c1-3-4-7(2)8(5-15-9(11)12)6-16-10(13)14/h7-8H,3-6H2,1-2H3,(H4,11,12,15)(H4,13,14,16).
What are the key properties of 1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine?
1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine has a molecular weight of 228.34 g/mol, XLogP of -0.20, 7 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(diaminomethylideneamino)methyl]-3-methylhexyl]guanidine is sourced from PubChem (CID 176525528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).