1-butyl-1-carbamimidoylguanidine

C6H15N5 — CID 15595708

IUPAC1-butyl-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)N(CCCC)/C(N)=N/[H]
InChIInChI=1S/C6H15N5/c1-2-3-4-11(5(7)8)6(9)10/h2-4H2,1H3,(H3,7,8)(H3,9,10)
InChIKeyHVXFNSIEPLPDOD-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.12
Rot. Bonds3

About 1-butyl-1-carbamimidoylguanidine

1-butyl-1-carbamimidoylguanidine (PubChem CID 15595708) has the molecular formula C6H15N5 and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-butyl-1-carbamimidoylguanidine.

Molecular Properties

Compound Name1-butyl-1-carbamimidoylguanidine
PubChem CID15595708
Molecular FormulaC6H15N5
Molecular Weight157.22 g/mol
Exact Mass157.13
IUPAC Name1-butyl-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)N(CCCC)/C(N)=N/[H]
InChIInChI=1S/C6H15N5/c1-2-3-4-11(5(7)8)6(9)10/h2-4H2,1H3,(H3,7,8)(H3,9,10)
InChIKeyHVXFNSIEPLPDOD-UHFFFAOYSA-N
XLogP-0.12
TPSA102.98 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.12
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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Related Compounds

CID 19456
CID 19456
CID 9496
CID 9496
CID 58400
CID 58400
CID 18614735
CID 18614735
CID 54447877
CID 54447877
CID 9494
CID 9494
CID 176518466
CID 176518466
CID 129680498
CID 129680498
CID 172994316
CID 172994316
CID 12914603
CID 12914603
CID 13671357
CID 13671357
CID 17803800
CID 17803800

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-carbamimidoylguanidine?
The IUPAC name of 1-butyl-1-carbamimidoylguanidine (CID 15595708) is 1-butyl-1-carbamimidoylguanidine.
What is the SMILES notation for 1-butyl-1-carbamimidoylguanidine?
The canonical SMILES for 1-butyl-1-carbamimidoylguanidine is [H]/N=C(\N)N(CCCC)/C(N)=N/[H].
What is the InChIKey of 1-butyl-1-carbamimidoylguanidine?
The InChIKey is HVXFNSIEPLPDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5/c1-2-3-4-11(5(7)8)6(9)10/h2-4H2,1H3,(H3,7,8)(H3,9,10).
What are the key properties of 1-butyl-1-carbamimidoylguanidine?
1-butyl-1-carbamimidoylguanidine has a molecular weight of 157.22 g/mol, XLogP of -0.12, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-carbamimidoylguanidine is sourced from PubChem (CID 15595708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).