1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine

C15H34N4 — CID 110979323

IUPAC1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine
SMILESC/N=C(\NCCC(C)C)NCC(CC(C)C)N(C)C
InChIInChI=1S/C15H34N4/c1-12(2)8-9-17-15(16-5)18-11-14(19(6)7)10-13(3)4/h12-14H,8-11H2,1-7H3,(H2,16,17,18)
InChIKeyDSOIAKLXYKUBTL-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.17
Rot. Bonds8

About 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine

1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine (PubChem CID 110979323) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine
PubChem CID110979323
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC Name1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine
SMILESC/N=C(\NCCC(C)C)NCC(CC(C)C)N(C)C
InChIInChI=1S/C15H34N4/c1-12(2)8-9-17-15(16-5)18-11-14(19(6)7)10-13(3)4/h12-14H,8-11H2,1-7H3,(H2,16,17,18)
InChIKeyDSOIAKLXYKUBTL-UHFFFAOYSA-N
XLogP2.17
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.17
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

1-[2-(dimethylamino)-4-methylpentyl]-3-(3-ethoxy-4-methylpentyl)-2-methylguanidine
CID 111718688
1-[2-(dimethylamino)-4-methylpentyl]-3-(4-ethoxybutyl)-2-methylguanidine
CID 111945059
1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110982962
2-methyl-1,3-bis(3-methylbutyl)guanidine;hydroiodide
CID 110978186
1-[2-(dimethylamino)-4-methylpentyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111653392
1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611958
1-benzyl-3-[2-(dimethylamino)-4-methylpentyl]-2-methylguanidine;hydroiodide
CID 110954799
1-[2-(dimethylamino)-4-methylpentyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232954
1-[2-(dimethylamino)-4-methylpentyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 111280307
1-[2-(dimethylamino)-2-methylpropyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978551
1-[2-(dimethylamino)-4-methylpentyl]-3-[(3-fluoro-4-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111846686
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978510

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine?
The IUPAC name of 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine (CID 110979323) is 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine?
The canonical SMILES for 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine is C/N=C(\NCCC(C)C)NCC(CC(C)C)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine?
The InChIKey is DSOIAKLXYKUBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-12(2)8-9-17-15(16-5)18-11-14(19(6)7)10-13(3)4/h12-14H,8-11H2,1-7H3,(H2,16,17,18).
What are the key properties of 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine?
1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine has a molecular weight of 270.46 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine is sourced from PubChem (CID 110979323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).