2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine

C17H31N5 — CID 111077449

IUPAC2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCCCN(CCC)CCC/N=C(\N)NCCc1ccccn1
InChIInChI=1S/C17H31N5/c1-3-13-22(14-4-2)15-7-11-20-17(18)21-12-9-16-8-5-6-10-19-16/h5-6,8,10H,3-4,7,9,11-15H2,1-2H3,(H3,18,20,21)
InChIKeySUUVDVSLDYQDBV-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.04
Rot. Bonds11

About 2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine

2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111077449) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111077449
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCCCN(CCC)CCC/N=C(\N)NCCc1ccccn1
InChIInChI=1S/C17H31N5/c1-3-13-22(14-4-2)15-7-11-20-17(18)21-12-9-16-8-5-6-10-19-16/h5-6,8,10H,3-4,7,9,11-15H2,1-2H3,(H3,18,20,21)
InChIKeySUUVDVSLDYQDBV-UHFFFAOYSA-N
XLogP2.04
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111066396
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111057297
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111077449) is 2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine is CCCN(CCC)CCC/N=C(\N)NCCc1ccccn1.
What is the InChIKey of 2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is SUUVDVSLDYQDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-3-13-22(14-4-2)15-7-11-20-17(18)21-12-9-16-8-5-6-10-19-16/h5-6,8,10H,3-4,7,9,11-15H2,1-2H3,(H3,18,20,21).
What are the key properties of 2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 305.47 g/mol, XLogP of 2.04, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111077449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).