2-(4-aminobutyl)-1-prop-2-enylguanidine

C8H18N4 — CID 135469301

IUPAC2-(4-aminobutyl)-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCCCN
InChIInChI=1S/C8H18N4/c1-2-6-11-8(10)12-7-4-3-5-9/h2H,1,3-7,9H2,(H3,10,11,12)
InChIKeyOABAOJWPPSBKKV-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.18
Rot. Bonds6

About 2-(4-aminobutyl)-1-prop-2-enylguanidine

2-(4-aminobutyl)-1-prop-2-enylguanidine (PubChem CID 135469301) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(4-aminobutyl)-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-(4-aminobutyl)-1-prop-2-enylguanidine
PubChem CID135469301
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name2-(4-aminobutyl)-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCCCN
InChIInChI=1S/C8H18N4/c1-2-6-11-8(10)12-7-4-3-5-9/h2H,1,3-7,9H2,(H3,10,11,12)
InChIKeyOABAOJWPPSBKKV-UHFFFAOYSA-N
XLogP-0.18
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.18
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutyl)-1-prop-2-enylguanidine?
The IUPAC name of 2-(4-aminobutyl)-1-prop-2-enylguanidine (CID 135469301) is 2-(4-aminobutyl)-1-prop-2-enylguanidine.
What is the SMILES notation for 2-(4-aminobutyl)-1-prop-2-enylguanidine?
The canonical SMILES for 2-(4-aminobutyl)-1-prop-2-enylguanidine is C=CCN/C(N)=N/CCCCN.
What is the InChIKey of 2-(4-aminobutyl)-1-prop-2-enylguanidine?
The InChIKey is OABAOJWPPSBKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-2-6-11-8(10)12-7-4-3-5-9/h2H,1,3-7,9H2,(H3,10,11,12).
What are the key properties of 2-(4-aminobutyl)-1-prop-2-enylguanidine?
2-(4-aminobutyl)-1-prop-2-enylguanidine has a molecular weight of 170.26 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)-1-prop-2-enylguanidine is sourced from PubChem (CID 135469301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).