1-ethyl-2-nonylguanidine

C12H27N3 — CID 111034740

IUPAC1-ethyl-2-nonylguanidine
SMILESCCCCCCCCC/N=C(\N)NCC
InChIInChI=1S/C12H27N3/c1-3-5-6-7-8-9-10-11-15-12(13)14-4-2/h3-11H2,1-2H3,(H3,13,14,15)
InChIKeyXVXFLJMJXPNMFH-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.66
Rot. Bonds9

About 1-ethyl-2-nonylguanidine

1-ethyl-2-nonylguanidine (PubChem CID 111034740) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-ethyl-2-nonylguanidine.

Molecular Properties

Compound Name1-ethyl-2-nonylguanidine
PubChem CID111034740
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-ethyl-2-nonylguanidine
SMILESCCCCCCCCC/N=C(\N)NCC
InChIInChI=1S/C12H27N3/c1-3-5-6-7-8-9-10-11-15-12(13)14-4-2/h3-11H2,1-2H3,(H3,13,14,15)
InChIKeyXVXFLJMJXPNMFH-UHFFFAOYSA-N
XLogP2.66
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide
CID 111025048
2-hexyl-1-(2-methylsulfanylethyl)guanidine
CID 111030352
4-[[amino(ethylamino)methylidene]amino]butanamide
CID 62363745
1-ethyl-2-hex-5-ynylguanidine
CID 103757239
(N'-hexylcarbamimidoyl)urea
CID 87601330
2-nonyl-1-propan-2-ylguanidine
CID 111034727
2-(3-hydroxypropyl)-1-octylguanidine;hydroiodide
CID 111023661
2-(5-methoxypentyl)-1-octylguanidine
CID 111087564
1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide
CID 111045515
2-hexyl-1-(2-methylsulfonylethyl)guanidine
CID 111063406

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-nonylguanidine?
The IUPAC name of 1-ethyl-2-nonylguanidine (CID 111034740) is 1-ethyl-2-nonylguanidine.
What is the SMILES notation for 1-ethyl-2-nonylguanidine?
The canonical SMILES for 1-ethyl-2-nonylguanidine is CCCCCCCCC/N=C(\N)NCC.
What is the InChIKey of 1-ethyl-2-nonylguanidine?
The InChIKey is XVXFLJMJXPNMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-3-5-6-7-8-9-10-11-15-12(13)14-4-2/h3-11H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-ethyl-2-nonylguanidine?
1-ethyl-2-nonylguanidine has a molecular weight of 213.37 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-nonylguanidine is sourced from PubChem (CID 111034740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).