1,2-dibutyl-1-carbamimidoylguanidine

C10H23N5 — CID 71332601

IUPAC1,2-dibutyl-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)N(CCCC)/C(N)=N/CCCC
InChIInChI=1S/C10H23N5/c1-3-5-7-14-10(13)15(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H3,11,12)(H2,13,14)
InChIKeyMQHITEYVWUYXON-UHFFFAOYSA-N
MW213.33 g/mol
LogP1.10
Rot. Bonds6

About 1,2-dibutyl-1-carbamimidoylguanidine

1,2-dibutyl-1-carbamimidoylguanidine (PubChem CID 71332601) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 1,2-dibutyl-1-carbamimidoylguanidine.

Molecular Properties

Compound Name1,2-dibutyl-1-carbamimidoylguanidine
PubChem CID71332601
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name1,2-dibutyl-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)N(CCCC)/C(N)=N/CCCC
InChIInChI=1S/C10H23N5/c1-3-5-7-14-10(13)15(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H3,11,12)(H2,13,14)
InChIKeyMQHITEYVWUYXON-UHFFFAOYSA-N
XLogP1.10
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 51.10
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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Related Compounds

1-butyl-1-hydroxyguanidine
CID 55288777
2-butyl-1,1-dimethylguanidine;hydroiodide
CID 130748355
2-benzyl-1-carbamimidoyl-1-propylguanidine
CID 24839408
1-dodecyl-1-pentylguanidine
CID 88762865
1,1-didodecylguanidine
CID 23103902
1-amino-1-heptadecylguanidine
CID 141113274
1-butyl-1-ethyl-2-propylguanidine
CID 62360301
1-amino-1-dodecylguanidine
CID 141286246
1,1-bis(butylsulfanyl)guanidine
CID 87544034
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-carbamimidamido-2-hexylguanidine
CID 176532426
2-butyl-1-carbamimidoyl-3-ethylguanidine
CID 176518606

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-1-carbamimidoylguanidine?
The IUPAC name of 1,2-dibutyl-1-carbamimidoylguanidine (CID 71332601) is 1,2-dibutyl-1-carbamimidoylguanidine.
What is the SMILES notation for 1,2-dibutyl-1-carbamimidoylguanidine?
The canonical SMILES for 1,2-dibutyl-1-carbamimidoylguanidine is [H]/N=C(\N)N(CCCC)/C(N)=N/CCCC.
What is the InChIKey of 1,2-dibutyl-1-carbamimidoylguanidine?
The InChIKey is MQHITEYVWUYXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-3-5-7-14-10(13)15(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H3,11,12)(H2,13,14).
What are the key properties of 1,2-dibutyl-1-carbamimidoylguanidine?
1,2-dibutyl-1-carbamimidoylguanidine has a molecular weight of 213.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-1-carbamimidoylguanidine is sourced from PubChem (CID 71332601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).