1-carbamimidoyl-2-(2-ethylhexyl)guanidine

C10H23N5 — CID 176516720

IUPAC1-carbamimidoyl-2-(2-ethylhexyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC(CC)CCCC
InChIInChI=1S/C10H23N5/c1-3-5-6-8(4-2)7-14-10(13)15-9(11)12/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15)
InChIKeyIPVTWNBWVXXRLE-UHFFFAOYSA-N
MW213.33 g/mol
LogP1.00
Rot. Bonds6

About 1-carbamimidoyl-2-(2-ethylhexyl)guanidine

1-carbamimidoyl-2-(2-ethylhexyl)guanidine (PubChem CID 176516720) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(2-ethylhexyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(2-ethylhexyl)guanidine
PubChem CID176516720
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name1-carbamimidoyl-2-(2-ethylhexyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC(CC)CCCC
InChIInChI=1S/C10H23N5/c1-3-5-6-8(4-2)7-14-10(13)15-9(11)12/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15)
InChIKeyIPVTWNBWVXXRLE-UHFFFAOYSA-N
XLogP1.00
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 51.00
H-Bond Donors ≤ 54
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 1-carbamimidoyl-2-(2-ethylhexyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(2-ethylhexyl)guanidine (CID 176516720) is 1-carbamimidoyl-2-(2-ethylhexyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(2-ethylhexyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(2-ethylhexyl)guanidine is [H]/N=C(\N)N/C(N)=N/CC(CC)CCCC.
What is the InChIKey of 1-carbamimidoyl-2-(2-ethylhexyl)guanidine?
The InChIKey is IPVTWNBWVXXRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-3-5-6-8(4-2)7-14-10(13)15-9(11)12/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15).
What are the key properties of 1-carbamimidoyl-2-(2-ethylhexyl)guanidine?
1-carbamimidoyl-2-(2-ethylhexyl)guanidine has a molecular weight of 213.33 g/mol, XLogP of 1.00, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(2-ethylhexyl)guanidine is sourced from PubChem (CID 176516720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).