chromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine

C15H25N5O2 — CID 157059554

IUPACchromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine
SMILESCN.CNCCCN=C(N)N.O=c1ccc2ccccc2o1
InChIInChI=1S/C9H6O2.C5H14N4.CH5N/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-8-3-2-4-9-5(6)7;1-2/h1-6H;8H,2-4H2,1H3,(H4,6,7,9);2H2,1H3
InChIKeyABDZDZBMZIOVDW-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.24
Rot. Bonds4

About chromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine

chromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine (PubChem CID 157059554) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is chromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine.

Molecular Properties

Compound Namechromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine
PubChem CID157059554
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Namechromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine
SMILESCN.CNCCCN=C(N)N.O=c1ccc2ccccc2o1
InChIInChI=1S/C9H6O2.C5H14N4.CH5N/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-8-3-2-4-9-5(6)7;1-2/h1-6H;8H,2-4H2,1H3,(H4,6,7,9);2H2,1H3
InChIKeyABDZDZBMZIOVDW-UHFFFAOYSA-N
XLogP0.24
TPSA132.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(Propylaminomethyl)chromen-2-one;hydrochloride
CID 76335844
3-(Propylaminomethyl)chromen-2-one
CID 76335845
2-(2-Oxochromen-3-yl)guanidine
CID 23371973
3-(Diethylaminomethyl)chromen-2-one
CID 23616352
3-[(piperazin-1-yl)methyl]-2H-chromen-2-one
CID 45496655
N-propylpropan-1-amine;4-(trifluoromethyl)chromen-2-one
CID 87289864
N-ethylethanamine;4-(trifluoromethyl)chromen-2-one
CID 87289894
N-methylmethanamine;3-(trifluoromethyl)chromen-2-one
CID 87785561
(3-Fluoro-2-methylphenyl) 2-(diaminomethylideneamino)acetate
CID 174681982
(4-Fluoro-2-methylphenyl) 2-(diaminomethylideneamino)acetate
CID 174767023
3-(Propylamino)chromen-2-one
CID 139817324
N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide
CID 90811158

Frequently Asked Questions

What is the IUPAC name of chromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine?
The IUPAC name of chromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine (CID 157059554) is chromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine.
What is the SMILES notation for chromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine?
The canonical SMILES for chromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine is CN.CNCCCN=C(N)N.O=c1ccc2ccccc2o1.
What is the InChIKey of chromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine?
The InChIKey is ABDZDZBMZIOVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.C5H14N4.CH5N/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-8-3-2-4-9-5(6)7;1-2/h1-6H;8H,2-4H2,1H3,(H4,6,7,9);2H2,1H3.
What are the key properties of chromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine?
chromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine has a molecular weight of 307.40 g/mol, XLogP of 0.24, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-2-one;methanamine;2-[3-(methylamino)propyl]guanidine is sourced from PubChem (CID 157059554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).