1-amino-2-(2-aminopentan-2-yl)guanidine

C6H17N5 — CID 163508478

IUPAC1-amino-2-(2-aminopentan-2-yl)guanidine
SMILESCCCC(C)(N)N=C(N)NN
InChIInChI=1S/C6H17N5/c1-3-4-6(2,8)10-5(7)11-9/h3-4,8-9H2,1-2H3,(H3,7,10,11)
InChIKeyDAPVLHZBXWJWSW-UHFFFAOYSA-N
MW159.24 g/mol
LogP-0.76
Rot. Bonds3

About 1-amino-2-(2-aminopentan-2-yl)guanidine

1-amino-2-(2-aminopentan-2-yl)guanidine (PubChem CID 163508478) has the molecular formula C6H17N5 and a molecular weight of 159.24 g/mol. Its IUPAC name is 1-amino-2-(2-aminopentan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2-aminopentan-2-yl)guanidine
PubChem CID163508478
Molecular FormulaC6H17N5
Molecular Weight159.24 g/mol
Exact Mass159.15
IUPAC Name1-amino-2-(2-aminopentan-2-yl)guanidine
SMILESCCCC(C)(N)N=C(N)NN
InChIInChI=1S/C6H17N5/c1-3-4-6(2,8)10-5(7)11-9/h3-4,8-9H2,1-2H3,(H3,7,10,11)
InChIKeyDAPVLHZBXWJWSW-UHFFFAOYSA-N
XLogP-0.76
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 1-amino-2-(2-aminopentan-2-yl)guanidine?
The IUPAC name of 1-amino-2-(2-aminopentan-2-yl)guanidine (CID 163508478) is 1-amino-2-(2-aminopentan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-(2-aminopentan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-(2-aminopentan-2-yl)guanidine is CCCC(C)(N)N=C(N)NN.
What is the InChIKey of 1-amino-2-(2-aminopentan-2-yl)guanidine?
The InChIKey is DAPVLHZBXWJWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N5/c1-3-4-6(2,8)10-5(7)11-9/h3-4,8-9H2,1-2H3,(H3,7,10,11).
What are the key properties of 1-amino-2-(2-aminopentan-2-yl)guanidine?
1-amino-2-(2-aminopentan-2-yl)guanidine has a molecular weight of 159.24 g/mol, XLogP of -0.76, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-aminopentan-2-yl)guanidine is sourced from PubChem (CID 163508478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).