2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine

C13H29N3O — CID 111022536

IUPAC2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine
SMILESCCCCC(CC)C/N=C(\N)NC(C)COC
InChIInChI=1S/C13H29N3O/c1-5-7-8-12(6-2)9-15-13(14)16-11(3)10-17-4/h11-12H,5-10H2,1-4H3,(H3,14,15,16)
InChIKeyPWQMEIHYTVBUEH-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.14
Rot. Bonds9

About 2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine

2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine (PubChem CID 111022536) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine
PubChem CID111022536
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine
SMILESCCCCC(CC)C/N=C(\N)NC(C)COC
InChIInChI=1S/C13H29N3O/c1-5-7-8-12(6-2)9-15-13(14)16-11(3)10-17-4/h11-12H,5-10H2,1-4H3,(H3,14,15,16)
InChIKeyPWQMEIHYTVBUEH-UHFFFAOYSA-N
XLogP2.14
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.14
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

2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110925196
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111073312
1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;hydrochloride
CID 18968508
1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride
CID 176518157
2-(2-ethylhexyl)-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111022489
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111096379
2-[2-[ethyl(propyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111600579
2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111076283
ethyl 4-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]butanoate
CID 111025672
1-(1-methoxypropan-2-yl)-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111769816
N-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-N'-(2-ethylhexyl)methanimidamide
CID 87517335
2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111063797

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine (CID 111022536) is 2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine is CCCCC(CC)C/N=C(\N)NC(C)COC.
What is the InChIKey of 2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine?
The InChIKey is PWQMEIHYTVBUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-7-8-12(6-2)9-15-13(14)16-11(3)10-17-4/h11-12H,5-10H2,1-4H3,(H3,14,15,16).
What are the key properties of 2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine?
2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine has a molecular weight of 243.39 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 111022536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).