3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine

C10H24N4 — CID 104882122

IUPAC3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine
SMILESCCCCCN(/C(=N/C)NN)C(C)C
InChIInChI=1S/C10H24N4/c1-5-6-7-8-14(9(2)3)10(12-4)13-11/h9H,5-8,11H2,1-4H3,(H,12,13)
InChIKeyZKYOBWWZPFZQHX-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.34
Rot. Bonds5

About 3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine

3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine (PubChem CID 104882122) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine.

Molecular Properties

Compound Name3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine
PubChem CID104882122
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine
SMILESCCCCCN(/C(=N/C)NN)C(C)C
InChIInChI=1S/C10H24N4/c1-5-6-7-8-14(9(2)3)10(12-4)13-11/h9H,5-8,11H2,1-4H3,(H,12,13)
InChIKeyZKYOBWWZPFZQHX-UHFFFAOYSA-N
XLogP1.34
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine?
The IUPAC name of 3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine (CID 104882122) is 3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine.
What is the SMILES notation for 3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine?
The canonical SMILES for 3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine is CCCCCN(/C(=N/C)NN)C(C)C.
What is the InChIKey of 3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine?
The InChIKey is ZKYOBWWZPFZQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-5-6-7-8-14(9(2)3)10(12-4)13-11/h9H,5-8,11H2,1-4H3,(H,12,13).
What are the key properties of 3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine?
3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine has a molecular weight of 200.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-pentyl-1-propan-2-ylguanidine is sourced from PubChem (CID 104882122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).