1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine

C10H23N3 — CID 62362321

IUPAC1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine
SMILESCCC(CC)N(C)/C(N)=N/C(C)C
InChIInChI=1S/C10H23N3/c1-6-9(7-2)13(5)10(11)12-8(3)4/h8-9H,6-7H2,1-5H3,(H2,11,12)
InChIKeyUJRVDSAGGUIILH-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.83
Rot. Bonds4

About 1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine

1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine (PubChem CID 62362321) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine
PubChem CID62362321
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine
SMILESCCC(CC)N(C)/C(N)=N/C(C)C
InChIInChI=1S/C10H23N3/c1-6-9(7-2)13(5)10(11)12-8(3)4/h8-9H,6-7H2,1-5H3,(H2,11,12)
InChIKeyUJRVDSAGGUIILH-UHFFFAOYSA-N
XLogP1.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine?
The IUPAC name of 1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine (CID 62362321) is 1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine.
What is the SMILES notation for 1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine?
The canonical SMILES for 1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine is CCC(CC)N(C)/C(N)=N/C(C)C.
What is the InChIKey of 1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine?
The InChIKey is UJRVDSAGGUIILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-6-9(7-2)13(5)10(11)12-8(3)4/h8-9H,6-7H2,1-5H3,(H2,11,12).
What are the key properties of 1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine?
1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine has a molecular weight of 185.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-pentan-3-yl-2-propan-2-ylguanidine is sourced from PubChem (CID 62362321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).