2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine

C15H34N4 — CID 111077417

IUPAC2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine
SMILESCCCN(CCC)CCC/N=C(\N)NCCC(C)C
InChIInChI=1S/C15H34N4/c1-5-11-19(12-6-2)13-7-9-17-15(16)18-10-8-14(3)4/h14H,5-13H2,1-4H3,(H3,16,17,18)
InChIKeyZTEFTCZJBLNQMP-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.45
Rot. Bonds11

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

2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine (PubChem CID 111077417) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine
PubChem CID111077417
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC Name2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine
SMILESCCCN(CCC)CCC/N=C(\N)NCCC(C)C
InChIInChI=1S/C15H34N4/c1-5-11-19(12-6-2)13-7-9-17-15(16)18-10-8-14(3)4/h14H,5-13H2,1-4H3,(H3,16,17,18)
InChIKeyZTEFTCZJBLNQMP-UHFFFAOYSA-N
XLogP2.45
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine
CID 111084873
1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide
CID 110935038
2-(4,4-dimethylpentyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111818207
2-(5-methoxypentyl)-1-(3-methylbutyl)guanidine
CID 111087551
ethyl 4-[[amino-(3-methylbutylamino)methylidene]amino]butanoate
CID 111025589
2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111816691
ethyl 4-[[amino-(3-methylbutylamino)methylidene]amino]butanoate;hydroiodide
CID 111025588
2-butyl-1-[2-(diethylamino)ethyl]guanidine
CID 111022666
2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111077449
2-[3-[4-(dimethylamino)phenyl]propyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111067831
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752297

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine?
The IUPAC name of 2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine (CID 111077417) is 2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine?
The canonical SMILES for 2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine is CCCN(CCC)CCC/N=C(\N)NCCC(C)C.
What is the InChIKey of 2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine?
The InChIKey is ZTEFTCZJBLNQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-5-11-19(12-6-2)13-7-9-17-15(16)18-10-8-14(3)4/h14H,5-13H2,1-4H3,(H3,16,17,18).
What are the key properties of 2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine?
2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine has a molecular weight of 270.46 g/mol, XLogP of 2.45, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 111077417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).