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

C12H28N4 — CID 75532892

IUPAC2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine
SMILESCCC(CC)C(C/N=C(\N)N(C)C)N(C)C
InChIInChI=1S/C12H28N4/c1-7-10(8-2)11(15(3)4)9-14-12(13)16(5)6/h10-11H,7-9H2,1-6H3,(H2,13,14)
InChIKeyWRPOPOWEKOGKOT-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.23
Rot. Bonds6

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

2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine (PubChem CID 75532892) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine
PubChem CID75532892
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine
SMILESCCC(CC)C(C/N=C(\N)N(C)C)N(C)C
InChIInChI=1S/C12H28N4/c1-7-10(8-2)11(15(3)4)9-14-12(13)16(5)6/h10-11H,7-9H2,1-6H3,(H2,13,14)
InChIKeyWRPOPOWEKOGKOT-UHFFFAOYSA-N
XLogP1.23
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine?
The IUPAC name of 2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine (CID 75532892) is 2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine?
The canonical SMILES for 2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine is CCC(CC)C(C/N=C(\N)N(C)C)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine?
The InChIKey is WRPOPOWEKOGKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-7-10(8-2)11(15(3)4)9-14-12(13)16(5)6/h10-11H,7-9H2,1-6H3,(H2,13,14).
What are the key properties of 2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine?
2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine has a molecular weight of 228.38 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-3-ethylpentyl]-1,1-dimethylguanidine is sourced from PubChem (CID 75532892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).