1-butyl-1-ethyl-2-propylguanidine

C10H23N3 — CID 62360301

IUPAC1-butyl-1-ethyl-2-propylguanidine
SMILESCCCCN(CC)/C(N)=N/CCC
InChIInChI=1S/C10H23N3/c1-4-7-9-13(6-3)10(11)12-8-5-2/h4-9H2,1-3H3,(H2,11,12)
InChIKeyHWZLGEYSMWAAGZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.83
Rot. Bonds6

About 1-butyl-1-ethyl-2-propylguanidine

1-butyl-1-ethyl-2-propylguanidine (PubChem CID 62360301) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-butyl-1-ethyl-2-propylguanidine.

Molecular Properties

Compound Name1-butyl-1-ethyl-2-propylguanidine
PubChem CID62360301
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-butyl-1-ethyl-2-propylguanidine
SMILESCCCCN(CC)/C(N)=N/CCC
InChIInChI=1S/C10H23N3/c1-4-7-9-13(6-3)10(11)12-8-5-2/h4-9H2,1-3H3,(H2,11,12)
InChIKeyHWZLGEYSMWAAGZ-UHFFFAOYSA-N
XLogP1.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-ethyl-1,2-dipropylguanidine
CID 62359189
1-ethyl-1-(2-methoxyethyl)-2-propylguanidine
CID 62364781
1-(2-cyanoethyl)-1-ethyl-2-propylguanidine
CID 62364332
3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414
2-[2-(diethylamino)ethyl]-1,1-diethylguanidine
CID 111022676
1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine
CID 62363683
5-[[amino-(dioctadecylamino)methylidene]amino]pentanamide
CID 139836174
(N,N-dibutyl-N'-propylcarbamimidoyl)-tripropylazanium
CID 163212730
2-butyl-1,1-dimethylguanidine;hydroiodide
CID 130748355
1,1-diethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111057684
1,2-dibutyl-1-carbamimidoylguanidine
CID 71332601
1,1-dibutylthiourea;zinc
CID 175070562

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-ethyl-2-propylguanidine?
The IUPAC name of 1-butyl-1-ethyl-2-propylguanidine (CID 62360301) is 1-butyl-1-ethyl-2-propylguanidine.
What is the SMILES notation for 1-butyl-1-ethyl-2-propylguanidine?
The canonical SMILES for 1-butyl-1-ethyl-2-propylguanidine is CCCCN(CC)/C(N)=N/CCC.
What is the InChIKey of 1-butyl-1-ethyl-2-propylguanidine?
The InChIKey is HWZLGEYSMWAAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-4-7-9-13(6-3)10(11)12-8-5-2/h4-9H2,1-3H3,(H2,11,12).
What are the key properties of 1-butyl-1-ethyl-2-propylguanidine?
1-butyl-1-ethyl-2-propylguanidine has a molecular weight of 185.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-ethyl-2-propylguanidine is sourced from PubChem (CID 62360301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).