1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine

C10H25N5 — CID 104885249

IUPAC1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine
SMILESCC(CCN(C)C)/N=C(\NN)NC(C)C
InChIInChI=1S/C10H25N5/c1-8(2)12-10(14-11)13-9(3)6-7-15(4)5/h8-9H,6-7,11H2,1-5H3,(H2,12,13,14)
InChIKeyWIQQOUCYFIPVIQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.14
Rot. Bonds5

About 1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine

1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine (PubChem CID 104885249) has the molecular formula C10H25N5 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine
PubChem CID104885249
Molecular FormulaC10H25N5
Molecular Weight215.34 g/mol
Exact Mass215.21
IUPAC Name1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine
SMILESCC(CCN(C)C)/N=C(\NN)NC(C)C
InChIInChI=1S/C10H25N5/c1-8(2)12-10(14-11)13-9(3)6-7-15(4)5/h8-9H,6-7,11H2,1-5H3,(H2,12,13,14)
InChIKeyWIQQOUCYFIPVIQ-UHFFFAOYSA-N
XLogP0.14
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

1-(Dimethylamino)-2,3-di(propan-2-yl)guanidine
CID 102263494
1-Amino-3-propan-2-yl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888055
1-Amino-2-propyl-3-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937746
1-Amino-2-butyl-3-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937764
1-Amino-2,3-di(propan-2-yl)guanidine
CID 12159619
[4-[(N-amino-N'-methylcarbamimidoyl)amino]cyclohexyl]-trimethylazanium chloride
CID 17968546
[4-[(N-amino-N'-methylcarbamimidoyl)amino]cyclohexyl]-trimethylazanium
CID 17968547
1-Amino-3-[4-(dimethylamino)cyclohexyl]-2-methylguanidine
CID 17968570
1-Amino-2-ethyl-3-propan-2-ylguanidine
CID 19743615
1-Amino-2,3-di(propan-2-yl)guanidine;hydroiodide
CID 23471408
1-Amino-3-cyclopropyl-2-methylguanidine
CID 57837957
1-Butyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
CID 68251508

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine (CID 104885249) is 1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine is CC(CCN(C)C)/N=C(\NN)NC(C)C.
What is the InChIKey of 1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine?
The InChIKey is WIQQOUCYFIPVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N5/c1-8(2)12-10(14-11)13-9(3)6-7-15(4)5/h8-9H,6-7,11H2,1-5H3,(H2,12,13,14).
What are the key properties of 1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine?
1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine has a molecular weight of 215.34 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine is sourced from PubChem (CID 104885249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).