1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine

C11H22N4O2 — CID 104884342

IUPAC1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine
SMILESNN/C(=N\CC1COCCO1)NC1CCCC1
InChIInChI=1S/C11H22N4O2/c12-15-11(14-9-3-1-2-4-9)13-7-10-8-16-5-6-17-10/h9-10H,1-8,12H2,(H2,13,14,15)
InChIKeyHQMAWQOFFOFEKH-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.25
Rot. Bonds3

About 1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine

1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine (PubChem CID 104884342) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine
PubChem CID104884342
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine
SMILESNN/C(=N\CC1COCCO1)NC1CCCC1
InChIInChI=1S/C11H22N4O2/c12-15-11(14-9-3-1-2-4-9)13-7-10-8-16-5-6-17-10/h9-10H,1-8,12H2,(H2,13,14,15)
InChIKeyHQMAWQOFFOFEKH-UHFFFAOYSA-N
XLogP-0.25
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-cyclopropyl-2-(oxan-2-ylmethyl)guanidine
CID 104884451
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine
CID 104884346
1-amino-3-cyclohexyl-2-(thiolan-2-ylmethyl)guanidine
CID 104887499
1-cyclopentyl-3-ethyl-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110991164
1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine
CID 83036120
2-[[(cyclopentylamino)-hydrazinylmethylidene]amino]acetamide
CID 104882876
1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine
CID 107299078
1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine
CID 116513137
1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine
CID 104884344
1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
CID 104886471
1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 104883116

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine (CID 104884342) is 1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine is NN/C(=N\CC1COCCO1)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine?
The InChIKey is HQMAWQOFFOFEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c12-15-11(14-9-3-1-2-4-9)13-7-10-8-16-5-6-17-10/h9-10H,1-8,12H2,(H2,13,14,15).
What are the key properties of 1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine?
1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine has a molecular weight of 242.32 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine is sourced from PubChem (CID 104884342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).