1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine

C11H24N4 — CID 104886508

IUPAC1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine
SMILESCC(C)CCC(C)N/C(=N/C1CC1)NN
InChIInChI=1S/C11H24N4/c1-8(2)4-5-9(3)13-11(15-12)14-10-6-7-10/h8-10H,4-7,12H2,1-3H3,(H2,13,14,15)
InChIKeyGASLVDHRJMAOSU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.38
Rot. Bonds5

About 1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine

1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine (PubChem CID 104886508) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine
PubChem CID104886508
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine
SMILESCC(C)CCC(C)N/C(=N/C1CC1)NN
InChIInChI=1S/C11H24N4/c1-8(2)4-5-9(3)13-11(15-12)14-10-6-7-10/h8-10H,4-7,12H2,1-3H3,(H2,13,14,15)
InChIKeyGASLVDHRJMAOSU-UHFFFAOYSA-N
XLogP1.38
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-cyclopropyl-3-(5-methylhexan-2-yl)guanidine?
The IUPAC name of 1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine (CID 104886508) is 1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine is CC(C)CCC(C)N/C(=N/C1CC1)NN.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine?
The InChIKey is GASLVDHRJMAOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-8(2)4-5-9(3)13-11(15-12)14-10-6-7-10/h8-10H,4-7,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine?
1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine has a molecular weight of 212.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine is sourced from PubChem (CID 104886508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).