1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine

C16H35N3O — CID 111204310

IUPAC1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine
SMILESCCN/C(=N\CCCCCOC)NC(C)CCC(C)C
InChIInChI=1S/C16H35N3O/c1-6-17-16(18-12-8-7-9-13-20-5)19-15(4)11-10-14(2)3/h14-15H,6-13H2,1-5H3,(H2,17,18,19)
InChIKeyANCADXJZLDMAGW-UHFFFAOYSA-N
MW285.48 g/mol
LogP3.18
Rot. Bonds11

About 1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine

1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine (PubChem CID 111204310) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine
PubChem CID111204310
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine
SMILESCCN/C(=N\CCCCCOC)NC(C)CCC(C)C
InChIInChI=1S/C16H35N3O/c1-6-17-16(18-12-8-7-9-13-20-5)19-15(4)11-10-14(2)3/h14-15H,6-13H2,1-5H3,(H2,17,18,19)
InChIKeyANCADXJZLDMAGW-UHFFFAOYSA-N
XLogP3.18
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 53.18
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'}

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Related Compounds

1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110944617
methyl 5-[[ethylamino-(5-methylhexan-2-ylamino)methylidene]amino]pentanoate
CID 111203144
1-ethyl-3-(1-methoxypropan-2-yl)-2-pentylguanidine;hydroiodide
CID 111235092
2-(2-ethoxyethyl)-1-ethyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111204107
methyl 5-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]pentanoate
CID 111173701
1-ethyl-2-(3-methoxypropyl)-3-[2-(3-methylbutoxy)ethyl]guanidine
CID 110976669
1-ethyl-3-heptan-2-yl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111195091
ethyl 4-[[ethylamino-(5-methylhexan-2-ylamino)methylidene]amino]butanoate;hydroiodide
CID 111204189
methyl 5-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]pentanoate
CID 111234359
1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 109482847
1-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111204169
2-(5-methoxypentyl)-1-(3-methylbutyl)guanidine
CID 111087551

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine?
The IUPAC name of 1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine (CID 111204310) is 1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine?
The canonical SMILES for 1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine is CCN/C(=N\CCCCCOC)NC(C)CCC(C)C.
What is the InChIKey of 1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine?
The InChIKey is ANCADXJZLDMAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-6-17-16(18-12-8-7-9-13-20-5)19-15(4)11-10-14(2)3/h14-15H,6-13H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine?
1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine has a molecular weight of 285.48 g/mol, XLogP of 3.18, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine is sourced from PubChem (CID 111204310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).