1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine

C10H22N4O — CID 104882633

IUPAC1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine
SMILESCCCCN/C(=N\CC1CCOC1)NN
InChIInChI=1S/C10H22N4O/c1-2-3-5-12-10(14-11)13-7-9-4-6-15-8-9/h9H,2-8,11H2,1H3,(H2,12,13,14)
InChIKeyHBMPGLHFKOQZBJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.23
Rot. Bonds5

About 1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine

1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine (PubChem CID 104882633) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine
PubChem CID104882633
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine
SMILESCCCCN/C(=N\CC1CCOC1)NN
InChIInChI=1S/C10H22N4O/c1-2-3-5-12-10(14-11)13-7-9-4-6-15-8-9/h9H,2-8,11H2,1H3,(H2,12,13,14)
InChIKeyHBMPGLHFKOQZBJ-UHFFFAOYSA-N
XLogP0.23
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-ethyl-2-(oxan-4-ylmethyl)guanidine
CID 104886091
1-amino-3-butyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 104884773
1-amino-3-butyl-2-(thiolan-2-ylmethyl)guanidine
CID 104887495
1-amino-3-butyl-2-[(1,1-dioxothiolan-2-yl)methyl]guanidine
CID 104887516
1-amino-2,3-dibutylguanidine
CID 116511844
1-ethyl-3-[3-(oxolan-3-ylmethoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111645811
1-amino-3-(3-ethoxypropyl)-2-(thian-4-ylmethyl)guanidine
CID 104888608
1-ethyl-3-hexyl-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111645451
1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
2-(cyclopropylmethyl)-1-ethyl-3-pentylguanidine;hydroiodide
CID 111128884
1-amino-2-[(1,1-dioxothiolan-3-yl)methyl]-3-propylguanidine
CID 104884208
1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine
CID 119155673

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine (CID 104882633) is 1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine is CCCCN/C(=N\CC1CCOC1)NN.
What is the InChIKey of 1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine?
The InChIKey is HBMPGLHFKOQZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-2-3-5-12-10(14-11)13-7-9-4-6-15-8-9/h9H,2-8,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine?
1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine has a molecular weight of 214.31 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 104882633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).