1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine

C13H25N5 — CID 104886579

IUPAC1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine
SMILESCN1C2CCCC1CC(N/C(=N/C1CC1)NN)C2
InChIInChI=1S/C13H25N5/c1-18-11-3-2-4-12(18)8-10(7-11)16-13(17-14)15-9-5-6-9/h9-12H,2-8,14H2,1H3,(H2,15,16,17)
InChIKeyREEYORWAPPUFSK-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.57
Rot. Bonds2

About 1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine

1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine (PubChem CID 104886579) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine
PubChem CID104886579
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine
SMILESCN1C2CCCC1CC(N/C(=N/C1CC1)NN)C2
InChIInChI=1S/C13H25N5/c1-18-11-3-2-4-12(18)8-10(7-11)16-13(17-14)15-9-5-6-9/h9-12H,2-8,14H2,1H3,(H2,15,16,17)
InChIKeyREEYORWAPPUFSK-UHFFFAOYSA-N
XLogP0.57
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-cyclobutyl-2-cyclohexylguanidine
CID 104882648
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
CID 19097464
1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine
CID 104883140
1-amino-2-cyclopentyl-3-(1-methylpiperidin-3-yl)guanidine
CID 104884363
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine
CID 104886736
1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
CID 115662349
1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine
CID 130820208
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-ylthiourea
CID 115662352
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
CID 107031276
1-amino-3-cyclopentyl-2-(thian-4-yl)guanidine
CID 104888913

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine?
The IUPAC name of 1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine (CID 104886579) is 1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine is CN1C2CCCC1CC(N/C(=N/C1CC1)NN)C2.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine?
The InChIKey is REEYORWAPPUFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-18-11-3-2-4-12(18)8-10(7-11)16-13(17-14)15-9-5-6-9/h9-12H,2-8,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine?
1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine has a molecular weight of 251.38 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine is sourced from PubChem (CID 104886579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).