ethane;2-methyl-3H-pyrrole;2-propylguanidine

C15H36N4 — CID 159963650

IUPACethane;2-methyl-3H-pyrrole;2-propylguanidine
SMILESCC.CC.CC.CC1=NC=CC1.CCCN=C(N)N
InChIInChI=1S/C5H7N.C4H11N3.3C2H6/c1-5-3-2-4-6-5;1-2-3-7-4(5)6;3*1-2/h2,4H,3H2,1H3;2-3H2,1H3,(H4,5,6,7);3*1-2H3
InChIKeyODQMEOQLADWHKR-UHFFFAOYSA-N
MW272.48 g/mol
LogP4.11
Rot. Bonds2

About ethane;2-methyl-3H-pyrrole;2-propylguanidine

ethane;2-methyl-3H-pyrrole;2-propylguanidine (PubChem CID 159963650) has the molecular formula C15H36N4 and a molecular weight of 272.48 g/mol. Its IUPAC name is ethane;2-methyl-3H-pyrrole;2-propylguanidine.

Molecular Properties

Compound Nameethane;2-methyl-3H-pyrrole;2-propylguanidine
PubChem CID159963650
Molecular FormulaC15H36N4
Molecular Weight272.48 g/mol
Exact Mass272.29
IUPAC Nameethane;2-methyl-3H-pyrrole;2-propylguanidine
SMILESCC.CC.CC.CC1=NC=CC1.CCCN=C(N)N
InChIInChI=1S/C5H7N.C4H11N3.3C2H6/c1-5-3-2-4-6-5;1-2-3-7-4(5)6;3*1-2/h2,4H,3H2,1H3;2-3H2,1H3,(H4,5,6,7);3*1-2H3
InChIKeyODQMEOQLADWHKR-UHFFFAOYSA-N
XLogP4.11
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
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

2-propylguanidine;sulfuric acid
CID 12725939
ethane;N'-propylethanimidamide
CID 156797871
2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine
CID 140619507
ethane;2-ethyl-3H-pyrrole;propane
CID 171562713
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
ethyl 2-(3H-pyrrol-2-yl)acetate
CID 97291747
2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine
CID 118351548
ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide
CID 159981336
2-[2-[ethyl(propyl)amino]ethyl]guanidine
CID 103718965
ethane;1-hydroxy-2-propylguanidine
CID 162518458
4-methyl-N'-propylpyridine-2-carboximidamide
CID 63839800
4-methyl-N'-propylpyridine-3-carboximidamide
CID 114878884

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3H-pyrrole;2-propylguanidine?
The IUPAC name of ethane;2-methyl-3H-pyrrole;2-propylguanidine (CID 159963650) is ethane;2-methyl-3H-pyrrole;2-propylguanidine.
What is the SMILES notation for ethane;2-methyl-3H-pyrrole;2-propylguanidine?
The canonical SMILES for ethane;2-methyl-3H-pyrrole;2-propylguanidine is CC.CC.CC.CC1=NC=CC1.CCCN=C(N)N.
What is the InChIKey of ethane;2-methyl-3H-pyrrole;2-propylguanidine?
The InChIKey is ODQMEOQLADWHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H11N3.3C2H6/c1-5-3-2-4-6-5;1-2-3-7-4(5)6;3*1-2/h2,4H,3H2,1H3;2-3H2,1H3,(H4,5,6,7);3*1-2H3.
What are the key properties of ethane;2-methyl-3H-pyrrole;2-propylguanidine?
ethane;2-methyl-3H-pyrrole;2-propylguanidine has a molecular weight of 272.48 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3H-pyrrole;2-propylguanidine is sourced from PubChem (CID 159963650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).