1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine

C12H28N4 — CID 110927065

IUPAC1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine
SMILESCCC(CC)C(CN/C(=N/C)NC)N(C)C
InChIInChI=1S/C12H28N4/c1-7-10(8-2)11(16(5)6)9-15-12(13-3)14-4/h10-11H,7-9H2,1-6H3,(H2,13,14,15)
InChIKeyRBNCQARZJULJQS-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.15
Rot. Bonds6

About 1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine

1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine (PubChem CID 110927065) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine
PubChem CID110927065
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine
SMILESCCC(CC)C(CN/C(=N/C)NC)N(C)C
InChIInChI=1S/C12H28N4/c1-7-10(8-2)11(16(5)6)9-15-12(13-3)14-4/h10-11H,7-9H2,1-6H3,(H2,13,14,15)
InChIKeyRBNCQARZJULJQS-UHFFFAOYSA-N
XLogP1.15
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.15
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

1-(cyclopropylmethyl)-3-[2-(dimethylamino)-3-ethylpentyl]-2-methylguanidine
CID 111869570
1-[2-(dimethylamino)-3-ethylpentyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110976604
1-[2-(dimethylamino)-3-ethylpentyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111607866
1-[2-(dimethylamino)-3-ethylpentyl]-3-(4-ethoxybutyl)-2-methylguanidine
CID 111945531
1-[2-(dimethylamino)-3-ethylpentyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111405358
1-[2-(dimethylamino)-3-ethylpentyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
CID 109410065
1-[2-(dimethylamino)-3-ethylpentyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139852
1-[2-(dimethylamino)-3-ethylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111955537
1,2-dimethyl-3-(2-methylpropyl)guanidine
CID 130768145
1-[2-(dimethylamino)-3-ethylpentyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111913781
1-[2-(dimethylamino)-3-ethylpentyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408382
1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine
CID 75493772

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine (CID 110927065) is 1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine is CCC(CC)C(CN/C(=N/C)NC)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine?
The InChIKey is RBNCQARZJULJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-7-10(8-2)11(16(5)6)9-15-12(13-3)14-4/h10-11H,7-9H2,1-6H3,(H2,13,14,15).
What are the key properties of 1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine?
1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine has a molecular weight of 228.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3-ethylpentyl]-2,3-dimethylguanidine is sourced from PubChem (CID 110927065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).