1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine

C10H24N4 — CID 104882850

IUPAC1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine
SMILESCCC(CC)N/C(=N/CC(C)C)NN
InChIInChI=1S/C10H24N4/c1-5-9(6-2)13-10(14-11)12-7-8(3)4/h8-9H,5-7,11H2,1-4H3,(H2,12,13,14)
InChIKeySEJLCTYMARGTLU-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.24
Rot. Bonds5

About 1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine

1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine (PubChem CID 104882850) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine
PubChem CID104882850
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine
SMILESCCC(CC)N/C(=N/CC(C)C)NN
InChIInChI=1S/C10H24N4/c1-5-9(6-2)13-10(14-11)12-7-8(3)4/h8-9H,5-7,11H2,1-4H3,(H2,12,13,14)
InChIKeySEJLCTYMARGTLU-UHFFFAOYSA-N
XLogP1.24
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.24
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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Related Compounds

1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine
CID 104884261
1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine
CID 104889085
1-amino-3-(3-ethylpentan-2-yl)-2-(2-methylpropyl)guanidine
CID 104886036
2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide
CID 103114219
1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994
1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine
CID 104888645
1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 104888487
1-amino-2-(2-methylpropyl)-3-(2-methylsulfanylpropyl)guanidine
CID 104888713
1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine
CID 104883067
1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine
CID 104888824
1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine
CID 104882252

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine?
The IUPAC name of 1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine (CID 104882850) is 1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine.
What is the SMILES notation for 1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine?
The canonical SMILES for 1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine is CCC(CC)N/C(=N/CC(C)C)NN.
What is the InChIKey of 1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine?
The InChIKey is SEJLCTYMARGTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-5-9(6-2)13-10(14-11)12-7-8(3)4/h8-9H,5-7,11H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine?
1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine has a molecular weight of 200.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine is sourced from PubChem (CID 104882850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).