1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine

C14H30N4 — CID 111077469

IUPAC1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCCN(CCC)CCC
InChIInChI=1S/C14H30N4/c1-5-9-18(10-6-2)11-7-8-16-14(15)17-12-13(3)4/h3,5-12H2,1-2,4H3,(H3,15,16,17)
InChIKeyHOXSBRQITWFLLB-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.98
Rot. Bonds10

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

1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 111077469) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID111077469
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCCN(CCC)CCC
InChIInChI=1S/C14H30N4/c1-5-9-18(10-6-2)11-7-8-16-14(15)17-12-13(3)4/h3,5-12H2,1-2,4H3,(H3,15,16,17)
InChIKeyHOXSBRQITWFLLB-UHFFFAOYSA-N
XLogP1.98
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.98
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(diethylamino)propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111025406
1-[3-(diethylamino)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111025405
1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111600598
2-(2-methylprop-2-enyl)-1-octylguanidine;hydroiodide
CID 109394322
1-(4,4-dimethylpentyl)-2-(2-methylprop-2-enyl)guanidine
CID 111637998
2-methyl-N-[3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propyl]propanamide;hydroiodide
CID 109467818
1-[4-(N-methylanilino)butyl]-2-(2-methylprop-2-enyl)guanidine
CID 111078637
3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111077930
N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111054612
2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine
CID 111077417
tert-butyl N-[3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propyl]-N-propan-2-ylcarbamate;hydroiodide
CID 111100682
2-(2-methylprop-2-enyl)-1-(4-propan-2-yloxybutyl)guanidine;hydroiodide
CID 110029234

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine (CID 111077469) is 1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCCCN(CCC)CCC.
What is the InChIKey of 1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is HOXSBRQITWFLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-5-9-18(10-6-2)11-7-8-16-14(15)17-12-13(3)4/h3,5-12H2,1-2,4H3,(H3,15,16,17).
What are the key properties of 1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine?
1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 254.42 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111077469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).