1-(2-Ethylhexyl)-1-methylguanidine

C10H23N3 — CID 23103981

IUPAC1-(2-ethylhexyl)-1-methylguanidine
SMILESCCCCC(CC)CN(C)C(=N)N
InChIInChI=1S/C10H23N3/c1-4-6-7-9(5-2)8-13(3)10(11)12/h9H,4-8H2,1-3H3,(H3,11,12)
InChIKeySMDQMFVRAOCUHI-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.40
Rot. Bonds7

About 1-(2-Ethylhexyl)-1-methylguanidine

1-(2-Ethylhexyl)-1-methylguanidine (PubChem CID 23103981) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-1-methylguanidine.

Molecular Properties

Compound Name1-(2-Ethylhexyl)-1-methylguanidine
PubChem CID23103981
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-(2-ethylhexyl)-1-methylguanidine
SMILESCCCCC(CC)CN(C)C(=N)N
InChIInChI=1S/C10H23N3/c1-4-6-7-9(5-2)8-13(3)10(11)12/h9H,4-8H2,1-3H3,(H3,11,12)
InChIKeySMDQMFVRAOCUHI-UHFFFAOYSA-N
XLogP2.40
TPSA53.10 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity145

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

n-[(4,4-Difluorocyclohexyl)methyl]-n-methylguanidine
CID 164655477
1,1-Bis(11-methyldodecyl)guanidine
CID 19826644
1,1-Bis(2-ethylhexyl)guanidine
CID 20070093
1-Decyl-1-methylguanidine
CID 20435823
3-(2-Methylpropyl)pyrrolidine-1-carboximidamide
CID 21018803
4-(3-Methylbutyl)piperidine-1-carboximidamide
CID 21018807
1-Hexyl-1-methylguanidine
CID 21218370
1-Cyano-1-(5-methylhexan-2-yl)guanidine
CID 22382737
1-Methyl-1-octylguanidine
CID 23103925
1-Dodecyl-1-methylguanidine
CID 23124068
3-Ethylpiperidine-1-carboximidamide
CID 43584617
4-Propylpiperidine-1-carboximidamide
CID 57171494

Frequently Asked Questions

What is the IUPAC name of 1-(2-Ethylhexyl)-1-methylguanidine?
The IUPAC name of 1-(2-Ethylhexyl)-1-methylguanidine (CID 23103981) is 1-(2-ethylhexyl)-1-methylguanidine.
What is the SMILES notation for 1-(2-Ethylhexyl)-1-methylguanidine?
The canonical SMILES for 1-(2-Ethylhexyl)-1-methylguanidine is CCCCC(CC)CN(C)C(=N)N.
What is the InChIKey of 1-(2-Ethylhexyl)-1-methylguanidine?
The InChIKey is SMDQMFVRAOCUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-4-6-7-9(5-2)8-13(3)10(11)12/h9H,4-8H2,1-3H3,(H3,11,12).
What are the key properties of 1-(2-Ethylhexyl)-1-methylguanidine?
1-(2-Ethylhexyl)-1-methylguanidine has a molecular weight of 185.31 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Ethylhexyl)-1-methylguanidine is sourced from PubChem (CID 23103981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).