3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine

C10H25N5 — CID 104886352

IUPAC3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
SMILESCCCC/N=C(/NN)N(C)CCN(C)C
InChIInChI=1S/C10H25N5/c1-5-6-7-12-10(13-11)15(4)9-8-14(2)3/h5-9,11H2,1-4H3,(H,12,13)
InChIKeyPHJJJABYGGCLLN-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.10
Rot. Bonds6

About 3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine

3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine (PubChem CID 104886352) has the molecular formula C10H25N5 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
PubChem CID104886352
Molecular FormulaC10H25N5
Molecular Weight215.34 g/mol
Exact Mass215.21
IUPAC Name3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
SMILESCCCC/N=C(/NN)N(C)CCN(C)C
InChIInChI=1S/C10H25N5/c1-5-6-7-12-10(13-11)15(4)9-8-14(2)3/h5-9,11H2,1-4H3,(H,12,13)
InChIKeyPHJJJABYGGCLLN-UHFFFAOYSA-N
XLogP0.10
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-butyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885878
3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)guanidine
CID 104884485
3-amino-2-(3-ethoxypropyl)-1-methyl-1-pentylguanidine
CID 104883670
3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine
CID 104883516
3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine
CID 104883678
3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine
CID 104887591
3-amino-2-butyl-1-methyl-1-pentan-3-ylguanidine
CID 104884016
3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414
3-amino-2-butyl-1-ethyl-1-(2-ethylbutyl)guanidine
CID 104884793
3-amino-2-butyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884432
3-amino-1,1,2-tripropylguanidine
CID 104883381
1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine
CID 104885244

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine?
The IUPAC name of 3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine (CID 104886352) is 3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine.
What is the SMILES notation for 3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine?
The canonical SMILES for 3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine is CCCC/N=C(/NN)N(C)CCN(C)C.
What is the InChIKey of 3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine?
The InChIKey is PHJJJABYGGCLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N5/c1-5-6-7-12-10(13-11)15(4)9-8-14(2)3/h5-9,11H2,1-4H3,(H,12,13).
What are the key properties of 3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine?
3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine has a molecular weight of 215.34 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine is sourced from PubChem (CID 104886352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).