2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine

C15H34N4 — CID 111084873

IUPAC2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CCCCCCCN(C)C
InChIInChI=1S/C15H34N4/c1-14(2)10-12-18-15(16)17-11-8-6-5-7-9-13-19(3)4/h14H,5-13H2,1-4H3,(H3,16,17,18)
InChIKeyCSUTYCNFHRZYOB-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.45
Rot. Bonds11

About 2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine

2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine (PubChem CID 111084873) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine
PubChem CID111084873
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC Name2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CCCCCCCN(C)C
InChIInChI=1S/C15H34N4/c1-14(2)10-12-18-15(16)17-11-8-6-5-7-9-13-19(3)4/h14H,5-13H2,1-4H3,(H3,16,17,18)
InChIKeyCSUTYCNFHRZYOB-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'}

Analyze 2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methoxypentyl)-1-(3-methylbutyl)guanidine
CID 111087551
2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine
CID 111077417
2-(4,4-dimethylpentyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111818207
2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111816691
1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide
CID 110925122
1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide
CID 111025048
2-[3-[4-(dimethylamino)phenyl]propyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111067831
tert-butyl 7-[[amino-(3-methylbutylamino)methylidene]amino]heptanoate;hydroiodide
CID 111811339
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111100906
1-tert-butyl-2-[7-(dimethylamino)heptyl]guanidine;hydroiodide
CID 111084886
ethyl 4-[[amino-(3-methylbutylamino)methylidene]amino]butanoate
CID 111025589

Frequently Asked Questions

What is the IUPAC name of 2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine?
The IUPAC name of 2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine (CID 111084873) is 2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine?
The canonical SMILES for 2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine is CC(C)CCN/C(N)=N/CCCCCCCN(C)C.
What is the InChIKey of 2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine?
The InChIKey is CSUTYCNFHRZYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-14(2)10-12-18-15(16)17-11-8-6-5-7-9-13-19(3)4/h14H,5-13H2,1-4H3,(H3,16,17,18).
What are the key properties of 2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine?
2-[7-(dimethylamino)heptyl]-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-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 111084873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).