1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine

C15H33N3O2 — CID 111204562

IUPAC1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
SMILESC/N=C(\NCCCOCCOC)NC(C)CCC(C)C
InChIInChI=1S/C15H33N3O2/c1-13(2)7-8-14(3)18-15(16-4)17-9-6-10-20-12-11-19-5/h13-14H,6-12H2,1-5H3,(H2,16,17,18)
InChIKeyPITVCKZZCKBZRZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.03
Rot. Bonds11

About 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine

1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine (PubChem CID 111204562) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
PubChem CID111204562
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
SMILESC/N=C(\NCCCOCCOC)NC(C)CCC(C)C
InChIInChI=1S/C15H33N3O2/c1-13(2)7-8-14(3)18-15(16-4)17-9-6-10-20-12-11-19-5/h13-14H,6-12H2,1-5H3,(H2,16,17,18)
InChIKeyPITVCKZZCKBZRZ-UHFFFAOYSA-N
XLogP2.03
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.03
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

1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203382
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide
CID 111212994
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111499351
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-propan-2-ylguanidine
CID 111126129
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-[2-(3-methylbutoxy)ethyl]guanidine
CID 111971648
1-(1-methoxypropan-2-yl)-2-methyl-3-(4-methylpentyl)guanidine
CID 111236637
1-[3-(2-methoxyethoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942314
1-[2-(2-methoxyethoxy)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405155
1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine
CID 110943648
2-methyl-1-(5-methylhexan-2-yl)-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111773344
1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111240887
N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine
CID 43206916

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine (CID 111204562) is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine is C/N=C(\NCCCOCCOC)NC(C)CCC(C)C.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine?
The InChIKey is PITVCKZZCKBZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-13(2)7-8-14(3)18-15(16-4)17-9-6-10-20-12-11-19-5/h13-14H,6-12H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine?
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine has a molecular weight of 287.45 g/mol, XLogP of 2.03, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine is sourced from PubChem (CID 111204562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).