1-methyl-1-(4-methylpentan-2-yl)-2-propylguanidine

C11H25N3 — CID 62362580

IUPAC1-methyl-1-(4-methylpentan-2-yl)-2-propylguanidine
SMILESCCC/N=C(\N)N(C)C(C)CC(C)C
InChIInChI=1S/C11H25N3/c1-6-7-13-11(12)14(5)10(4)8-9(2)3/h9-10H,6-8H2,1-5H3,(H2,12,13)
InChIKeyBCHNGHMRYMUKPQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.08
Rot. Bonds5

About 1-methyl-1-(4-methylpentan-2-yl)-2-propylguanidine

1-methyl-1-(4-methylpentan-2-yl)-2-propylguanidine (PubChem CID 62362580) 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-propylguanidine.

Molecular Properties

Compound Name1-methyl-1-(4-methylpentan-2-yl)-2-propylguanidine
PubChem CID62362580
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-methyl-1-(4-methylpentan-2-yl)-2-propylguanidine
SMILESCCC/N=C(\N)N(C)C(C)CC(C)C
InChIInChI=1S/C11H25N3/c1-6-7-13-11(12)14(5)10(4)8-9(2)3/h9-10H,6-8H2,1-5H3,(H2,12,13)
InChIKeyBCHNGHMRYMUKPQ-UHFFFAOYSA-N
XLogP2.08
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-propylguanidine?
The IUPAC name of 1-methyl-1-(4-methylpentan-2-yl)-2-propylguanidine (CID 62362580) is 1-methyl-1-(4-methylpentan-2-yl)-2-propylguanidine.
What is the SMILES notation for 1-methyl-1-(4-methylpentan-2-yl)-2-propylguanidine?
The canonical SMILES for 1-methyl-1-(4-methylpentan-2-yl)-2-propylguanidine is CCC/N=C(\N)N(C)C(C)CC(C)C.
What is the InChIKey of 1-methyl-1-(4-methylpentan-2-yl)-2-propylguanidine?
The InChIKey is BCHNGHMRYMUKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-6-7-13-11(12)14(5)10(4)8-9(2)3/h9-10H,6-8H2,1-5H3,(H2,12,13).
What are the key properties of 1-methyl-1-(4-methylpentan-2-yl)-2-propylguanidine?
1-methyl-1-(4-methylpentan-2-yl)-2-propylguanidine has a molecular weight of 199.34 g/mol, XLogP of 2.08, 5 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-propylguanidine is sourced from PubChem (CID 62362580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).