2-nonyl-1-propan-2-ylguanidine

C13H29N3 — CID 111034727

IUPAC2-nonyl-1-propan-2-ylguanidine
SMILESCCCCCCCCC/N=C(\N)NC(C)C
InChIInChI=1S/C13H29N3/c1-4-5-6-7-8-9-10-11-15-13(14)16-12(2)3/h12H,4-11H2,1-3H3,(H3,14,15,16)
InChIKeyXNBCAXNTZPTPMF-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.05
Rot. Bonds9

About 2-nonyl-1-propan-2-ylguanidine

2-nonyl-1-propan-2-ylguanidine (PubChem CID 111034727) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-nonyl-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-nonyl-1-propan-2-ylguanidine
PubChem CID111034727
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-nonyl-1-propan-2-ylguanidine
SMILESCCCCCCCCC/N=C(\N)NC(C)C
InChIInChI=1S/C13H29N3/c1-4-5-6-7-8-9-10-11-15-13(14)16-12(2)3/h12H,4-11H2,1-3H3,(H3,14,15,16)
InChIKeyXNBCAXNTZPTPMF-UHFFFAOYSA-N
XLogP3.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.05
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
2-[4-(diethylamino)butyl]-1-propan-2-ylguanidine;hydroiodide
CID 111059974
1-ethyl-2-nonylguanidine
CID 111034740
1-propan-2-yl-2-(4,4,4-trifluorobutyl)guanidine
CID 79822616
2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine
CID 106162010
2-amino-N-propan-2-yl-N'-tetradecylheptadecanimidamide
CID 87914525
(N'-hexylcarbamimidoyl)urea
CID 87601330
2-(3-methylsulfonylpropyl)-1-propan-2-ylguanidine
CID 62362658
2-hexyl-1-(2-propan-2-yloxyethyl)guanidine;hydroiodide
CID 110032724
2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111600581
1-cyclohexyl-2-octylguanidine
CID 113337391

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-1-propan-2-ylguanidine?
The IUPAC name of 2-nonyl-1-propan-2-ylguanidine (CID 111034727) is 2-nonyl-1-propan-2-ylguanidine.
What is the SMILES notation for 2-nonyl-1-propan-2-ylguanidine?
The canonical SMILES for 2-nonyl-1-propan-2-ylguanidine is CCCCCCCCC/N=C(\N)NC(C)C.
What is the InChIKey of 2-nonyl-1-propan-2-ylguanidine?
The InChIKey is XNBCAXNTZPTPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-5-6-7-8-9-10-11-15-13(14)16-12(2)3/h12H,4-11H2,1-3H3,(H3,14,15,16).
What are the key properties of 2-nonyl-1-propan-2-ylguanidine?
2-nonyl-1-propan-2-ylguanidine has a molecular weight of 227.40 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-1-propan-2-ylguanidine is sourced from PubChem (CID 111034727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).