1-carbamimidoyl-1,2-dihexylguanidine

C14H31N5 — CID 10171549

IUPAC1-carbamimidoyl-1,2-dihexylguanidine
SMILES[H]/N=C(\N)N(CCCCCC)/C(N)=N/CCCCCC
InChIInChI=1S/C14H31N5/c1-3-5-7-9-11-18-14(17)19(13(15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H3,15,16)(H2,17,18)
InChIKeyFHXVHEZDCVIQJQ-UHFFFAOYSA-N
MW269.44 g/mol
LogP2.66
Rot. Bonds10

About 1-carbamimidoyl-1,2-dihexylguanidine

1-carbamimidoyl-1,2-dihexylguanidine (PubChem CID 10171549) has the molecular formula C14H31N5 and a molecular weight of 269.44 g/mol. Its IUPAC name is 1-carbamimidoyl-1,2-dihexylguanidine.

Molecular Properties

Compound Name1-carbamimidoyl-1,2-dihexylguanidine
PubChem CID10171549
Molecular FormulaC14H31N5
Molecular Weight269.44 g/mol
Exact Mass269.26
IUPAC Name1-carbamimidoyl-1,2-dihexylguanidine
SMILES[H]/N=C(\N)N(CCCCCC)/C(N)=N/CCCCCC
InChIInChI=1S/C14H31N5/c1-3-5-7-9-11-18-14(17)19(13(15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H3,15,16)(H2,17,18)
InChIKeyFHXVHEZDCVIQJQ-UHFFFAOYSA-N
XLogP2.66
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 52.66
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 1-carbamimidoyl-1,2-dihexylguanidine?
The IUPAC name of 1-carbamimidoyl-1,2-dihexylguanidine (CID 10171549) is 1-carbamimidoyl-1,2-dihexylguanidine.
What is the SMILES notation for 1-carbamimidoyl-1,2-dihexylguanidine?
The canonical SMILES for 1-carbamimidoyl-1,2-dihexylguanidine is [H]/N=C(\N)N(CCCCCC)/C(N)=N/CCCCCC.
What is the InChIKey of 1-carbamimidoyl-1,2-dihexylguanidine?
The InChIKey is FHXVHEZDCVIQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5/c1-3-5-7-9-11-18-14(17)19(13(15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H3,15,16)(H2,17,18).
What are the key properties of 1-carbamimidoyl-1,2-dihexylguanidine?
1-carbamimidoyl-1,2-dihexylguanidine has a molecular weight of 269.44 g/mol, XLogP of 2.66, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-1,2-dihexylguanidine is sourced from PubChem (CID 10171549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).