2-(6-aminohexyl)-1-(3-methylbutyl)guanidine

C12H28N4 — CID 24879514

IUPAC2-(6-aminohexyl)-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CCCCCCN
InChIInChI=1S/C12H28N4/c1-11(2)7-10-16-12(14)15-9-6-4-3-5-8-13/h11H,3-10,13H2,1-2H3,(H3,14,15,16)
InChIKeyGIQUGVVBSLXNOT-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.46
Rot. Bonds9

About 2-(6-aminohexyl)-1-(3-methylbutyl)guanidine

2-(6-aminohexyl)-1-(3-methylbutyl)guanidine (PubChem CID 24879514) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(6-aminohexyl)-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name2-(6-aminohexyl)-1-(3-methylbutyl)guanidine
PubChem CID24879514
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name2-(6-aminohexyl)-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CCCCCCN
InChIInChI=1S/C12H28N4/c1-11(2)7-10-16-12(14)15-9-6-4-3-5-8-13/h11H,3-10,13H2,1-2H3,(H3,14,15,16)
InChIKeyGIQUGVVBSLXNOT-UHFFFAOYSA-N
XLogP1.46
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-(6-aminohexyl)-1-(3-methylbutyl)guanidine?
The IUPAC name of 2-(6-aminohexyl)-1-(3-methylbutyl)guanidine (CID 24879514) is 2-(6-aminohexyl)-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 2-(6-aminohexyl)-1-(3-methylbutyl)guanidine?
The canonical SMILES for 2-(6-aminohexyl)-1-(3-methylbutyl)guanidine is CC(C)CCN/C(N)=N/CCCCCCN.
What is the InChIKey of 2-(6-aminohexyl)-1-(3-methylbutyl)guanidine?
The InChIKey is GIQUGVVBSLXNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-11(2)7-10-16-12(14)15-9-6-4-3-5-8-13/h11H,3-10,13H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-(6-aminohexyl)-1-(3-methylbutyl)guanidine?
2-(6-aminohexyl)-1-(3-methylbutyl)guanidine has a molecular weight of 228.38 g/mol, XLogP of 1.46, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexyl)-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 24879514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).