1-amino-3-butyl-2-(2-methylpropyl)guanidine

C9H22N4 — CID 104882833

IUPAC1-amino-3-butyl-2-(2-methylpropyl)guanidine
SMILESCCCCN/C(=N\CC(C)C)NN
InChIInChI=1S/C9H22N4/c1-4-5-6-11-9(13-10)12-7-8(2)3/h8H,4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeyXTFNYPAOGYWFMI-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.85
Rot. Bonds5

About 1-amino-3-butyl-2-(2-methylpropyl)guanidine

1-amino-3-butyl-2-(2-methylpropyl)guanidine (PubChem CID 104882833) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-amino-3-butyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-butyl-2-(2-methylpropyl)guanidine
PubChem CID104882833
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name1-amino-3-butyl-2-(2-methylpropyl)guanidine
SMILESCCCCN/C(=N\CC(C)C)NN
InChIInChI=1S/C9H22N4/c1-4-5-6-11-9(13-10)12-7-8(2)3/h8H,4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeyXTFNYPAOGYWFMI-UHFFFAOYSA-N
XLogP0.85
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.85
H-Bond Donors ≤ 53
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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Related Compounds

1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine
CID 104883067
1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994
1-amino-2,3-dibutylguanidine
CID 116511844
1-amino-3-butyl-2-(7-methyloctyl)guanidine
CID 114004522
1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine
CID 104888824
1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine
CID 104885007
1-amino-3-butyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888049
1-amino-2-(2-ethylhexyl)-3-propylguanidine
CID 107819395
1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-(3-butoxypropyl)-3-ethyl-2-(2-methylpropyl)guanidine
CID 111180121
1-(3-butoxypropyl)-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180120
N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 104888724

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-butyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-3-butyl-2-(2-methylpropyl)guanidine (CID 104882833) is 1-amino-3-butyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-butyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-3-butyl-2-(2-methylpropyl)guanidine is CCCCN/C(=N\CC(C)C)NN.
What is the InChIKey of 1-amino-3-butyl-2-(2-methylpropyl)guanidine?
The InChIKey is XTFNYPAOGYWFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-4-5-6-11-9(13-10)12-7-8(2)3/h8H,4-7,10H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-amino-3-butyl-2-(2-methylpropyl)guanidine?
1-amino-3-butyl-2-(2-methylpropyl)guanidine has a molecular weight of 186.30 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-butyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104882833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).