2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine

C8H18N4O — CID 147407401

IUPAC2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine
SMILESCC(C)(C)C(=O)C(N)CN=C(N)N
InChIInChI=1S/C8H18N4O/c1-8(2,3)6(13)5(9)4-12-7(10)11/h5H,4,9H2,1-3H3,(H4,10,11,12)
InChIKeyDPXXQRWXBJTUMY-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.80
Rot. Bonds3

About 2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine

2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine (PubChem CID 147407401) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine.

Molecular Properties

Compound Name2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine
PubChem CID147407401
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine
SMILESCC(C)(C)C(=O)C(N)CN=C(N)N
InChIInChI=1S/C8H18N4O/c1-8(2,3)6(13)5(9)4-12-7(10)11/h5H,4,9H2,1-3H3,(H4,10,11,12)
InChIKeyDPXXQRWXBJTUMY-UHFFFAOYSA-N
XLogP-0.80
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-amino-4,4-dimethyl-3-oxopentyl)guanidine?
The IUPAC name of 2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine (CID 147407401) is 2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine.
What is the SMILES notation for 2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine?
The canonical SMILES for 2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine is CC(C)(C)C(=O)C(N)CN=C(N)N.
What is the InChIKey of 2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine?
The InChIKey is DPXXQRWXBJTUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-8(2,3)6(13)5(9)4-12-7(10)11/h5H,4,9H2,1-3H3,(H4,10,11,12).
What are the key properties of 2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine?
2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine has a molecular weight of 186.26 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,4-dimethyl-3-oxopentyl)guanidine is sourced from PubChem (CID 147407401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).