2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine

C16H36N4 — CID 134182127

IUPAC2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine
SMILESCCCCC(C)(C)NC(C)(C)CCC(C)(C)N=C(N)N
InChIInChI=1S/C16H36N4/c1-8-9-10-15(4,5)20-16(6,7)12-11-14(2,3)19-13(17)18/h20H,8-12H2,1-7H3,(H4,17,18,19)
InChIKeyCGYFEMYFKUDYGF-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.16
Rot. Bonds9

About 2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine

2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine (PubChem CID 134182127) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine.

Molecular Properties

Compound Name2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine
PubChem CID134182127
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine
SMILESCCCCC(C)(C)NC(C)(C)CCC(C)(C)N=C(N)N
InChIInChI=1S/C16H36N4/c1-8-9-10-15(4,5)20-16(6,7)12-11-14(2,3)19-13(17)18/h20H,8-12H2,1-7H3,(H4,17,18,19)
InChIKeyCGYFEMYFKUDYGF-UHFFFAOYSA-N
XLogP3.16
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine?
The IUPAC name of 2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine (CID 134182127) is 2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine.
What is the SMILES notation for 2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine?
The canonical SMILES for 2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine is CCCCC(C)(C)NC(C)(C)CCC(C)(C)N=C(N)N.
What is the InChIKey of 2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine?
The InChIKey is CGYFEMYFKUDYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c1-8-9-10-15(4,5)20-16(6,7)12-11-14(2,3)19-13(17)18/h20H,8-12H2,1-7H3,(H4,17,18,19).
What are the key properties of 2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine?
2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine has a molecular weight of 284.49 g/mol, XLogP of 3.16, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-5-(2-methylhexan-2-ylamino)hexan-2-yl]guanidine is sourced from PubChem (CID 134182127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).