1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine

C11H25N3 — CID 62362581

IUPAC1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine
SMILESCC(C)CC(C)N(C)/C(N)=N/C(C)C
InChIInChI=1S/C11H25N3/c1-8(2)7-10(5)14(6)11(12)13-9(3)4/h8-10H,7H2,1-6H3,(H2,12,13)
InChIKeyJTLXWNNZNQZGAN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.08
Rot. Bonds4

About 1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine

1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine (PubChem CID 62362581) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine
PubChem CID62362581
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine
SMILESCC(C)CC(C)N(C)/C(N)=N/C(C)C
InChIInChI=1S/C11H25N3/c1-8(2)7-10(5)14(6)11(12)13-9(3)4/h8-10H,7H2,1-6H3,(H2,12,13)
InChIKeyJTLXWNNZNQZGAN-UHFFFAOYSA-N
XLogP2.08
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.08
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-(4-methylpentan-2-yl)-2-propan-2-ylguanidine?
The IUPAC name of 1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine (CID 62362581) is 1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine is CC(C)CC(C)N(C)/C(N)=N/C(C)C.
What is the InChIKey of 1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine?
The InChIKey is JTLXWNNZNQZGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-8(2)7-10(5)14(6)11(12)13-9(3)4/h8-10H,7H2,1-6H3,(H2,12,13).
What are the key properties of 1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine?
1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine has a molecular weight of 199.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-methylpentan-2-yl)-2-propan-2-ylguanidine is sourced from PubChem (CID 62362581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).